1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide

C12H19N3O — CID 78994411

IUPAC1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NCCN2CCCC2)CCC1
InChIInChI=1S/C12H19N3O/c13-10-12(4-3-5-12)11(16)14-6-9-15-7-1-2-8-15/h1-9H2,(H,14,16)
InChIKeyFNPKHZQPJPXEAD-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.89
Rot. Bonds4

About 1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide

1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide (PubChem CID 78994411) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide
PubChem CID78994411
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NCCN2CCCC2)CCC1
InChIInChI=1S/C12H19N3O/c13-10-12(4-3-5-12)11(16)14-6-9-15-7-1-2-8-15/h1-9H2,(H,14,16)
InChIKeyFNPKHZQPJPXEAD-UHFFFAOYSA-N
XLogP0.89
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2-piperidin-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
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1-cyano-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide
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1-cyano-N-[2-(dimethylcarbamoylamino)ethyl]cyclobutane-1-carboxamide
CID 83109882
1-cyano-N-(2-imidazol-1-ylethyl)cyclopentane-1-carboxamide
CID 60717326
1-cyano-N-[2-(methylsulfamoyl)ethyl]cyclobutane-1-carboxamide
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1-cyano-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 78994504

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide (CID 78994411) is 1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide is N#CC1(C(=O)NCCN2CCCC2)CCC1.
What is the InChIKey of 1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide?
The InChIKey is FNPKHZQPJPXEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-10-12(4-3-5-12)11(16)14-6-9-15-7-1-2-8-15/h1-9H2,(H,14,16).
What are the key properties of 1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide?
1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 78994411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).