1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide

C12H15N3O — CID 115183346

IUPAC1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide
SMILESCN(Cc1ccc[nH]1)C(=O)C1(C#N)CCC1
InChIInChI=1S/C12H15N3O/c1-15(8-10-4-2-7-14-10)11(16)12(9-13)5-3-6-12/h2,4,7,14H,3,5-6,8H2,1H3
InChIKeyALWNZZPXBOYYBW-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.67
Rot. Bonds3

About 1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide

1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 115183346) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide
PubChem CID115183346
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide
SMILESCN(Cc1ccc[nH]1)C(=O)C1(C#N)CCC1
InChIInChI=1S/C12H15N3O/c1-15(8-10-4-2-7-14-10)11(16)12(9-13)5-3-6-12/h2,4,7,14H,3,5-6,8H2,1H3
InChIKeyALWNZZPXBOYYBW-UHFFFAOYSA-N
XLogP1.67
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide 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

1-cyano-N-[(4-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 78994705
1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 78994564
(1R)-2,2-difluoro-N,1-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxamide
CID 164639298
1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 47413974
N-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide
CID 60678400
3-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)oxetane-3-carboxamide
CID 115185388
3-[methyl(1H-pyrrol-2-ylmethyl)carbamoyl]oxetane-3-carboxylic acid
CID 115185011
1-cyano-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 61482749
1-cyano-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 115183394
N-benzyl-1-cyano-N,3-dimethylcyclobutane-1-carboxamide
CID 80500969
1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide
CID 105417802
1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclohexane-1-carboxamide
CID 105417788

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide (CID 115183346) is 1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide is CN(Cc1ccc[nH]1)C(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is ALWNZZPXBOYYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15(8-10-4-2-7-14-10)11(16)12(9-13)5-3-6-12/h2,4,7,14H,3,5-6,8H2,1H3.
What are the key properties of 1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide?
1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115183346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).