6-cyclohexyl-4-methyl-1-oxidopyridin-2-one

C12H16NO2- — CID 5254725

IUPAC6-cyclohexyl-4-methyl-1-oxidopyridin-2-one
SMILESCc1cc(C2CCCCC2)n([O-])c(=O)c1
InChIInChI=1S/C12H16NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3/q-1
InChIKeyUSUWCRYVPHKJCJ-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.55
Rot. Bonds1

About 6-cyclohexyl-4-methyl-1-oxidopyridin-2-one

6-cyclohexyl-4-methyl-1-oxidopyridin-2-one (PubChem CID 5254725) has the molecular formula C12H16NO2- and a molecular weight of 206.27 g/mol. Its IUPAC name is 6-cyclohexyl-4-methyl-1-oxidopyridin-2-one.

Molecular Properties

Compound Name6-cyclohexyl-4-methyl-1-oxidopyridin-2-one
PubChem CID5254725
Molecular FormulaC12H16NO2-
Molecular Weight206.27 g/mol
Exact Mass206.12
IUPAC Name6-cyclohexyl-4-methyl-1-oxidopyridin-2-one
SMILESCc1cc(C2CCCCC2)n([O-])c(=O)c1
InChIInChI=1S/C12H16NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3/q-1
InChIKeyUSUWCRYVPHKJCJ-UHFFFAOYSA-N
XLogP2.55
TPSA45.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-4-methyl-1-oxidopyridin-2-one?
The IUPAC name of 6-cyclohexyl-4-methyl-1-oxidopyridin-2-one (CID 5254725) is 6-cyclohexyl-4-methyl-1-oxidopyridin-2-one.
What is the SMILES notation for 6-cyclohexyl-4-methyl-1-oxidopyridin-2-one?
The canonical SMILES for 6-cyclohexyl-4-methyl-1-oxidopyridin-2-one is Cc1cc(C2CCCCC2)n([O-])c(=O)c1.
What is the InChIKey of 6-cyclohexyl-4-methyl-1-oxidopyridin-2-one?
The InChIKey is USUWCRYVPHKJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3/q-1.
What are the key properties of 6-cyclohexyl-4-methyl-1-oxidopyridin-2-one?
6-cyclohexyl-4-methyl-1-oxidopyridin-2-one has a molecular weight of 206.27 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-4-methyl-1-oxidopyridin-2-one is sourced from PubChem (CID 5254725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).