4-methyl-6-(4-oxocyclohexyl)-1H-pyridin-2-one

C12H15NO2 — CID 163370424

IUPAC4-methyl-6-(4-oxocyclohexyl)-1H-pyridin-2-one
SMILESCc1cc(C2CCC(=O)CC2)[nH]c(=O)c1
InChIInChI=1S/C12H15NO2/c1-8-6-11(13-12(15)7-8)9-2-4-10(14)5-3-9/h6-7,9H,2-5H2,1H3,(H,13,15)
InChIKeyMHEADTMDVCMBFV-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.91
Rot. Bonds1

About 4-methyl-6-(4-oxocyclohexyl)-1H-pyridin-2-one

4-methyl-6-(4-oxocyclohexyl)-1H-pyridin-2-one (PubChem CID 163370424) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-methyl-6-(4-oxocyclohexyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-6-(4-oxocyclohexyl)-1H-pyridin-2-one
PubChem CID163370424
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4-methyl-6-(4-oxocyclohexyl)-1H-pyridin-2-one
SMILESCc1cc(C2CCC(=O)CC2)[nH]c(=O)c1
InChIInChI=1S/C12H15NO2/c1-8-6-11(13-12(15)7-8)9-2-4-10(14)5-3-9/h6-7,9H,2-5H2,1H3,(H,13,15)
InChIKeyMHEADTMDVCMBFV-UHFFFAOYSA-N
XLogP1.91
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-oxocyclohexyl)-1H-pyridin-2-one?
The IUPAC name of 4-methyl-6-(4-oxocyclohexyl)-1H-pyridin-2-one (CID 163370424) is 4-methyl-6-(4-oxocyclohexyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-6-(4-oxocyclohexyl)-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-6-(4-oxocyclohexyl)-1H-pyridin-2-one is Cc1cc(C2CCC(=O)CC2)[nH]c(=O)c1.
What is the InChIKey of 4-methyl-6-(4-oxocyclohexyl)-1H-pyridin-2-one?
The InChIKey is MHEADTMDVCMBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-6-11(13-12(15)7-8)9-2-4-10(14)5-3-9/h6-7,9H,2-5H2,1H3,(H,13,15).
What are the key properties of 4-methyl-6-(4-oxocyclohexyl)-1H-pyridin-2-one?
4-methyl-6-(4-oxocyclohexyl)-1H-pyridin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-oxocyclohexyl)-1H-pyridin-2-one is sourced from PubChem (CID 163370424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).