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

C12H12N2O — CID 126954496

IUPAC3-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1OCC1CC=CC1
InChIInChI=1S/C12H12N2O/c13-7-11-5-6-14-8-12(11)15-9-10-3-1-2-4-10/h1-2,5-6,8,10H,3-4,9H2
InChIKeyOIURNNVRMFIWHG-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.30
Rot. Bonds3

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

3-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile (PubChem CID 126954496) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile
PubChem CID126954496
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1OCC1CC=CC1
InChIInChI=1S/C12H12N2O/c13-7-11-5-6-14-8-12(11)15-9-10-3-1-2-4-10/h1-2,5-6,8,10H,3-4,9H2
InChIKeyOIURNNVRMFIWHG-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 3-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile?
The IUPAC name of 3-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile (CID 126954496) is 3-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile is N#Cc1ccncc1OCC1CC=CC1.
What is the InChIKey of 3-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile?
The InChIKey is OIURNNVRMFIWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-7-11-5-6-14-8-12(11)15-9-10-3-1-2-4-10/h1-2,5-6,8,10H,3-4,9H2.
What are the key properties of 3-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile?
3-(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 3-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 126954496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).