N-(3-cyano-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrol-2-yl)acetamide

C12H15N3O — CID 670431

IUPACN-(3-cyano-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrol-2-yl)acetamide
SMILESCC(=O)Nc1[nH]c2c(c1C#N)CCCCC2
InChIInChI=1S/C12H15N3O/c1-8(16)14-12-10(7-13)9-5-3-2-4-6-11(9)15-12/h15H,2-6H2,1H3,(H,14,16)
InChIKeySMOMDJYDGQVOKB-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.11
Rot. Bonds1

About N-(3-cyano-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrol-2-yl)acetamide

N-(3-cyano-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrol-2-yl)acetamide (PubChem CID 670431) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(3-cyano-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrol-2-yl)acetamide
PubChem CID670431
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-(3-cyano-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrol-2-yl)acetamide
SMILESCC(=O)Nc1[nH]c2c(c1C#N)CCCCC2
InChIInChI=1S/C12H15N3O/c1-8(16)14-12-10(7-13)9-5-3-2-4-6-11(9)15-12/h15H,2-6H2,1H3,(H,14,16)
InChIKeySMOMDJYDGQVOKB-UHFFFAOYSA-N
XLogP2.11
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7,8-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrrolo(1,2-a)(1,3)diazepine-9-carbonitrile
CID 295498
3-Cyano-4,5-dimethyl-2-pyrroloxamic acid
CID 324401
1-Acetyl-2-amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile
CID 12234062
2-Diethylamino-acetamido-3-cyano-4,5-di-methylpyrrole
CID 191933
N-(3-cyano-4,5,6,7-tetrahydro-1H-indol-2-yl)acetamide
CID 4435711
Cyclohepta[b]pyrrole-3-carbonitrile, 2-amino-1,4,5,6,7,8-hexahydro-
CID 12312088
2-(1,3-Dioxobutylamino)-3-cyano-4,5,6,7-tetrahydroindole
CID 14363550
Methyl nitrile lidocaine analog
CID 191932
N-(3-cyano-4,5-dimethylpyrrol-2-yl)acetamide
CID 4271700
2-amino-5-ethyl-4-propyl-1H-pyrrole-3-carbonitrile
CID 3403780
2-chloro-N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)acetamide
CID 3597293
2-Amino-4-methyl-5-propyl-1H-pyrrole-3-carbonitrile
CID 12234065

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrol-2-yl)acetamide?
The IUPAC name of N-(3-cyano-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrol-2-yl)acetamide (CID 670431) is N-(3-cyano-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrol-2-yl)acetamide.
What is the SMILES notation for N-(3-cyano-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrol-2-yl)acetamide?
The canonical SMILES for N-(3-cyano-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrol-2-yl)acetamide is CC(=O)Nc1[nH]c2c(c1C#N)CCCCC2.
What is the InChIKey of N-(3-cyano-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrol-2-yl)acetamide?
The InChIKey is SMOMDJYDGQVOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8(16)14-12-10(7-13)9-5-3-2-4-6-11(9)15-12/h15H,2-6H2,1H3,(H,14,16).
What are the key properties of N-(3-cyano-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrol-2-yl)acetamide?
N-(3-cyano-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrol-2-yl)acetamide has a molecular weight of 217.27 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrol-2-yl)acetamide is sourced from PubChem (CID 670431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).