N-(4-cyanocyclohexyl)-2-(1H-pyrrol-2-yl)acetamide

C13H17N3O — CID 116817030

IUPACN-(4-cyanocyclohexyl)-2-(1H-pyrrol-2-yl)acetamide
SMILESN#CC1CCC(NC(=O)Cc2ccc[nH]2)CC1
InChIInChI=1S/C13H17N3O/c14-9-10-3-5-11(6-4-10)16-13(17)8-12-2-1-7-15-12/h1-2,7,10-11,15H,3-6,8H2,(H,16,17)
InChIKeyYPXHEQQYHYVXTP-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.76
Rot. Bonds3

About N-(4-cyanocyclohexyl)-2-(1H-pyrrol-2-yl)acetamide

N-(4-cyanocyclohexyl)-2-(1H-pyrrol-2-yl)acetamide (PubChem CID 116817030) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(4-cyanocyclohexyl)-2-(1H-pyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyanocyclohexyl)-2-(1H-pyrrol-2-yl)acetamide
PubChem CID116817030
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(4-cyanocyclohexyl)-2-(1H-pyrrol-2-yl)acetamide
SMILESN#CC1CCC(NC(=O)Cc2ccc[nH]2)CC1
InChIInChI=1S/C13H17N3O/c14-9-10-3-5-11(6-4-10)16-13(17)8-12-2-1-7-15-12/h1-2,7,10-11,15H,3-6,8H2,(H,16,17)
InChIKeyYPXHEQQYHYVXTP-UHFFFAOYSA-N
XLogP1.76
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-cyanocyclohexyl)-2-(1H-pyrrol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-cyanocyclohexyl)-2-phenylacetamide
CID 115270171
N-(2-methylcyclopropyl)-2-(1H-pyrrol-2-yl)acetamide
CID 130727409
N-[4-(2-hydroxyethyl)cyclohexyl]-3-(1H-pyrrol-2-yl)propanamide
CID 116817243
N-(4-cyanocyclohexyl)-2-cyclopentylacetamide
CID 116817039
N-(4-cyanocyclohexyl)-2-cyclohexylacetamide
CID 116817040
(Z)-2-cyano-N-cyclopropyl-3-(1H-pyrrol-2-yl)prop-2-enamide
CID 787842
N-(4-cyanocyclohexyl)-5-methylhexanamide
CID 116817048
N-(4-cyanocyclohexyl)-2-fluorobenzamide
CID 115270160
N-cyclopropyl-2-phenylacetamide
CID 5175687
N-cyclopentyl-4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813914
N-[4-(cyanomethyl)cyclohexyl]-N-methyl-2-(1H-pyrrol-2-yl)acetamide
CID 116817169
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-2-yl)acetamide
CID 115272021

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanocyclohexyl)-2-(1H-pyrrol-2-yl)acetamide?
The IUPAC name of N-(4-cyanocyclohexyl)-2-(1H-pyrrol-2-yl)acetamide (CID 116817030) is N-(4-cyanocyclohexyl)-2-(1H-pyrrol-2-yl)acetamide.
What is the SMILES notation for N-(4-cyanocyclohexyl)-2-(1H-pyrrol-2-yl)acetamide?
The canonical SMILES for N-(4-cyanocyclohexyl)-2-(1H-pyrrol-2-yl)acetamide is N#CC1CCC(NC(=O)Cc2ccc[nH]2)CC1.
What is the InChIKey of N-(4-cyanocyclohexyl)-2-(1H-pyrrol-2-yl)acetamide?
The InChIKey is YPXHEQQYHYVXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-9-10-3-5-11(6-4-10)16-13(17)8-12-2-1-7-15-12/h1-2,7,10-11,15H,3-6,8H2,(H,16,17).
What are the key properties of N-(4-cyanocyclohexyl)-2-(1H-pyrrol-2-yl)acetamide?
N-(4-cyanocyclohexyl)-2-(1H-pyrrol-2-yl)acetamide has a molecular weight of 231.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanocyclohexyl)-2-(1H-pyrrol-2-yl)acetamide is sourced from PubChem (CID 116817030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).