1-cyclohexyl-6-methyl-3,4-dihydropyridin-2-one

C12H19NO — CID 10845470

IUPAC1-cyclohexyl-6-methyl-3,4-dihydropyridin-2-one
SMILESCC1=CCCC(=O)N1C1CCCCC1
InChIInChI=1S/C12H19NO/c1-10-6-5-9-12(14)13(10)11-7-3-2-4-8-11/h6,11H,2-5,7-9H2,1H3
InChIKeyBIYWXZPSSJBECU-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.85
Rot. Bonds1

About 1-cyclohexyl-6-methyl-3,4-dihydropyridin-2-one

1-cyclohexyl-6-methyl-3,4-dihydropyridin-2-one (PubChem CID 10845470) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-cyclohexyl-6-methyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-6-methyl-3,4-dihydropyridin-2-one
PubChem CID10845470
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-cyclohexyl-6-methyl-3,4-dihydropyridin-2-one
SMILESCC1=CCCC(=O)N1C1CCCCC1
InChIInChI=1S/C12H19NO/c1-10-6-5-9-12(14)13(10)11-7-3-2-4-8-11/h6,11H,2-5,7-9H2,1H3
InChIKeyBIYWXZPSSJBECU-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-methyl-3,4-dihydropyridin-2-one?
The IUPAC name of 1-cyclohexyl-6-methyl-3,4-dihydropyridin-2-one (CID 10845470) is 1-cyclohexyl-6-methyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1-cyclohexyl-6-methyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 1-cyclohexyl-6-methyl-3,4-dihydropyridin-2-one is CC1=CCCC(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-6-methyl-3,4-dihydropyridin-2-one?
The InChIKey is BIYWXZPSSJBECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-6-5-9-12(14)13(10)11-7-3-2-4-8-11/h6,11H,2-5,7-9H2,1H3.
What are the key properties of 1-cyclohexyl-6-methyl-3,4-dihydropyridin-2-one?
1-cyclohexyl-6-methyl-3,4-dihydropyridin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-methyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 10845470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).