3-(cyclohexen-1-yl)-5-pyrimidin-2-yl-1H-pyridin-2-one

C15H15N3O — CID 123239143

IUPAC3-(cyclohexen-1-yl)-5-pyrimidin-2-yl-1H-pyridin-2-one
SMILESO=c1[nH]cc(-c2ncccn2)cc1C1=CCCCC1
InChIInChI=1S/C15H15N3O/c19-15-13(11-5-2-1-3-6-11)9-12(10-18-15)14-16-7-4-8-17-14/h4-5,7-10H,1-3,6H2,(H,18,19)
InChIKeyKSPVEGQSZPNFIR-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.79
Rot. Bonds2

About 3-(cyclohexen-1-yl)-5-pyrimidin-2-yl-1H-pyridin-2-one

3-(cyclohexen-1-yl)-5-pyrimidin-2-yl-1H-pyridin-2-one (PubChem CID 123239143) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-5-pyrimidin-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-5-pyrimidin-2-yl-1H-pyridin-2-one
PubChem CID123239143
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3-(cyclohexen-1-yl)-5-pyrimidin-2-yl-1H-pyridin-2-one
SMILESO=c1[nH]cc(-c2ncccn2)cc1C1=CCCCC1
InChIInChI=1S/C15H15N3O/c19-15-13(11-5-2-1-3-6-11)9-12(10-18-15)14-16-7-4-8-17-14/h4-5,7-10H,1-3,6H2,(H,18,19)
InChIKeyKSPVEGQSZPNFIR-UHFFFAOYSA-N
XLogP2.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-5-pyrimidin-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-(cyclohexen-1-yl)-5-pyrimidin-2-yl-1H-pyridin-2-one (CID 123239143) is 3-(cyclohexen-1-yl)-5-pyrimidin-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-(cyclohexen-1-yl)-5-pyrimidin-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-(cyclohexen-1-yl)-5-pyrimidin-2-yl-1H-pyridin-2-one is O=c1[nH]cc(-c2ncccn2)cc1C1=CCCCC1.
What is the InChIKey of 3-(cyclohexen-1-yl)-5-pyrimidin-2-yl-1H-pyridin-2-one?
The InChIKey is KSPVEGQSZPNFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c19-15-13(11-5-2-1-3-6-11)9-12(10-18-15)14-16-7-4-8-17-14/h4-5,7-10H,1-3,6H2,(H,18,19).
What are the key properties of 3-(cyclohexen-1-yl)-5-pyrimidin-2-yl-1H-pyridin-2-one?
3-(cyclohexen-1-yl)-5-pyrimidin-2-yl-1H-pyridin-2-one has a molecular weight of 253.31 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-5-pyrimidin-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 123239143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).