2-(cyclopentanecarbonyl)-5-pyrimidin-2-ylpentanenitrile

C15H19N3O — CID 123137982

IUPAC2-(cyclopentanecarbonyl)-5-pyrimidin-2-ylpentanenitrile
SMILESN#CC(CCCc1ncccn1)C(=O)C1CCCC1
InChIInChI=1S/C15H19N3O/c16-11-13(15(19)12-5-1-2-6-12)7-3-8-14-17-9-4-10-18-14/h4,9-10,12-13H,1-3,5-8H2
InChIKeyVQJMVGAPKNEMFM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.70
Rot. Bonds6

About 2-(cyclopentanecarbonyl)-5-pyrimidin-2-ylpentanenitrile

2-(cyclopentanecarbonyl)-5-pyrimidin-2-ylpentanenitrile (PubChem CID 123137982) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(cyclopentanecarbonyl)-5-pyrimidin-2-ylpentanenitrile.

Molecular Properties

Compound Name2-(cyclopentanecarbonyl)-5-pyrimidin-2-ylpentanenitrile
PubChem CID123137982
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(cyclopentanecarbonyl)-5-pyrimidin-2-ylpentanenitrile
SMILESN#CC(CCCc1ncccn1)C(=O)C1CCCC1
InChIInChI=1S/C15H19N3O/c16-11-13(15(19)12-5-1-2-6-12)7-3-8-14-17-9-4-10-18-14/h4,9-10,12-13H,1-3,5-8H2
InChIKeyVQJMVGAPKNEMFM-UHFFFAOYSA-N
XLogP2.70
TPSA66.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_keto_A(2)', 'substructure': 'N/A'}

Analyze 2-(cyclopentanecarbonyl)-5-pyrimidin-2-ylpentanenitrile 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 2-(cyclopentanecarbonyl)-5-pyrimidin-2-ylpentanenitrile?
The IUPAC name of 2-(cyclopentanecarbonyl)-5-pyrimidin-2-ylpentanenitrile (CID 123137982) is 2-(cyclopentanecarbonyl)-5-pyrimidin-2-ylpentanenitrile.
What is the SMILES notation for 2-(cyclopentanecarbonyl)-5-pyrimidin-2-ylpentanenitrile?
The canonical SMILES for 2-(cyclopentanecarbonyl)-5-pyrimidin-2-ylpentanenitrile is N#CC(CCCc1ncccn1)C(=O)C1CCCC1.
What is the InChIKey of 2-(cyclopentanecarbonyl)-5-pyrimidin-2-ylpentanenitrile?
The InChIKey is VQJMVGAPKNEMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-11-13(15(19)12-5-1-2-6-12)7-3-8-14-17-9-4-10-18-14/h4,9-10,12-13H,1-3,5-8H2.
What are the key properties of 2-(cyclopentanecarbonyl)-5-pyrimidin-2-ylpentanenitrile?
2-(cyclopentanecarbonyl)-5-pyrimidin-2-ylpentanenitrile has a molecular weight of 257.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentanecarbonyl)-5-pyrimidin-2-ylpentanenitrile is sourced from PubChem (CID 123137982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).