2-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile

C12H12N2O — CID 126955003

IUPAC2-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCC2CC=CC2)c1
InChIInChI=1S/C12H12N2O/c13-8-11-5-6-14-12(7-11)15-9-10-3-1-2-4-10/h1-2,5-7,10H,3-4,9H2
InChIKeyKNOWLLZTPWXDFC-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.30
Rot. Bonds3

About 2-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile

2-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile (PubChem CID 126955003) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile
PubChem CID126955003
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCC2CC=CC2)c1
InChIInChI=1S/C12H12N2O/c13-8-11-5-6-14-12(7-11)15-9-10-3-1-2-4-10/h1-2,5-7,10H,3-4,9H2
InChIKeyKNOWLLZTPWXDFC-UHFFFAOYSA-N
XLogP2.30
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile (CID 126955003) is 2-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile is N#Cc1ccnc(OCC2CC=CC2)c1.
What is the InChIKey of 2-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile?
The InChIKey is KNOWLLZTPWXDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-8-11-5-6-14-12(7-11)15-9-10-3-1-2-4-10/h1-2,5-7,10H,3-4,9H2.
What are the key properties of 2-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile?
2-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile has a molecular weight of 200.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 126955003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).