methyl 1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrole-2-carboxylate | C11H15NO2 | 100445-46-3 | MFCD21337186 | COC(=O)C1=CC2=C(CCCCC2)N1 | A803483, AA01FSAD, AEA44546, AG01FSD5, AR01FT25, AY16017, BB4LS-BD00784120, BBV-44982506, BD00784120, BG16017, BS-14143, CS-0163189, CSC010282502, D80386, D80386-0.1G, D80386-0.25G, F544868, FCH1610194, HY-W109679, OR80072, R499423, X185393, Y1467222, ZXC331342 | Chemspace

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Home CSMB00010282502

Structure Info

Chemspace ID: CSMB00010282502 (Enamine MADE)

CAS: 100445-46-3

MFCD: MFCD21337186

IUPAC Name: methyl 1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrole-2-carboxylate

Mol formula: C₁₁H₁₅NO₂

Mol weight: 193 Da

Catalog Number(s): A803483, AA01FSAD, AEA44546, AG01FSD5, AR01FT25, AY16017, BB4LS-BD00784120, BBV-44982506, BD00784120, BG16017, BS-14143, CS-0163189, CSC010282502, D80386, D80386-0.1G, D80386-0.25G, F544868, FCH1610194, HY-W109679, OR80072, R499423, X185393, Y1467222, ZXC331342

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SMILES
INCHI
INCHI key
MOL

Properties
SDS

Properties

LogP: 2.64

Heavy atoms count: 14

Rotatable bond count: 2

Number of rings: 2

Carbon bond saturation, Fsp3: 0.545

Polar surface area (Å): 42

Hydrogen bond acceptors count: 1

Hydrogen bond donors count: 1

: Zoom the structure; CSMB00010282502

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