1-cyano-N-(2-methyl-1-oxo-3H-isoindol-4-yl)cyclopentane-1-carboxamide

C16H17N3O2 — CID 128740208

IUPAC1-cyano-N-(2-methyl-1-oxo-3H-isoindol-4-yl)cyclopentane-1-carboxamide
SMILESCN1Cc2c(NC(=O)C3(C#N)CCCC3)cccc2C1=O
InChIInChI=1S/C16H17N3O2/c1-19-9-12-11(14(19)20)5-4-6-13(12)18-15(21)16(10-17)7-2-3-8-16/h4-6H,2-3,7-9H2,1H3,(H,18,21)
InChIKeyQEEWLMCHDJEUER-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.29
Rot. Bonds2

About 1-cyano-N-(2-methyl-1-oxo-3H-isoindol-4-yl)cyclopentane-1-carboxamide

1-cyano-N-(2-methyl-1-oxo-3H-isoindol-4-yl)cyclopentane-1-carboxamide (PubChem CID 128740208) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-cyano-N-(2-methyl-1-oxo-3H-isoindol-4-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-methyl-1-oxo-3H-isoindol-4-yl)cyclopentane-1-carboxamide
PubChem CID128740208
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-cyano-N-(2-methyl-1-oxo-3H-isoindol-4-yl)cyclopentane-1-carboxamide
SMILESCN1Cc2c(NC(=O)C3(C#N)CCCC3)cccc2C1=O
InChIInChI=1S/C16H17N3O2/c1-19-9-12-11(14(19)20)5-4-6-13(12)18-15(21)16(10-17)7-2-3-8-16/h4-6H,2-3,7-9H2,1H3,(H,18,21)
InChIKeyQEEWLMCHDJEUER-UHFFFAOYSA-N
XLogP2.29
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyano-N-(2-methyl-1-oxo-3H-isoindol-4-yl)cyclopentane-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

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-methyl-1-oxo-3H-isoindol-4-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-methyl-1-oxo-3H-isoindol-4-yl)cyclopentane-1-carboxamide (CID 128740208) is 1-cyano-N-(2-methyl-1-oxo-3H-isoindol-4-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-methyl-1-oxo-3H-isoindol-4-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-methyl-1-oxo-3H-isoindol-4-yl)cyclopentane-1-carboxamide is CN1Cc2c(NC(=O)C3(C#N)CCCC3)cccc2C1=O.
What is the InChIKey of 1-cyano-N-(2-methyl-1-oxo-3H-isoindol-4-yl)cyclopentane-1-carboxamide?
The InChIKey is QEEWLMCHDJEUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-19-9-12-11(14(19)20)5-4-6-13(12)18-15(21)16(10-17)7-2-3-8-16/h4-6H,2-3,7-9H2,1H3,(H,18,21).
What are the key properties of 1-cyano-N-(2-methyl-1-oxo-3H-isoindol-4-yl)cyclopentane-1-carboxamide?
1-cyano-N-(2-methyl-1-oxo-3H-isoindol-4-yl)cyclopentane-1-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-methyl-1-oxo-3H-isoindol-4-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 128740208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).