1-methyl-3-(3-oxocyclohexen-1-yl)piperidin-2-one

C12H17NO2 — CID 12665515

IUPAC1-methyl-3-(3-oxocyclohexen-1-yl)piperidin-2-one
SMILESCN1CCCC(C2=CC(=O)CCC2)C1=O
InChIInChI=1S/C12H17NO2/c1-13-7-3-6-11(12(13)15)9-4-2-5-10(14)8-9/h8,11H,2-7H2,1H3
InChIKeyYEVCQAHYSHCAQO-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.53
Rot. Bonds1

About 1-methyl-3-(3-oxocyclohexen-1-yl)piperidin-2-one

1-methyl-3-(3-oxocyclohexen-1-yl)piperidin-2-one (PubChem CID 12665515) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-methyl-3-(3-oxocyclohexen-1-yl)piperidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(3-oxocyclohexen-1-yl)piperidin-2-one
PubChem CID12665515
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-methyl-3-(3-oxocyclohexen-1-yl)piperidin-2-one
SMILESCN1CCCC(C2=CC(=O)CCC2)C1=O
InChIInChI=1S/C12H17NO2/c1-13-7-3-6-11(12(13)15)9-4-2-5-10(14)8-9/h8,11H,2-7H2,1H3
InChIKeyYEVCQAHYSHCAQO-UHFFFAOYSA-N
XLogP1.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-oxocyclohexen-1-yl)piperidin-2-one?
The IUPAC name of 1-methyl-3-(3-oxocyclohexen-1-yl)piperidin-2-one (CID 12665515) is 1-methyl-3-(3-oxocyclohexen-1-yl)piperidin-2-one.
What is the SMILES notation for 1-methyl-3-(3-oxocyclohexen-1-yl)piperidin-2-one?
The canonical SMILES for 1-methyl-3-(3-oxocyclohexen-1-yl)piperidin-2-one is CN1CCCC(C2=CC(=O)CCC2)C1=O.
What is the InChIKey of 1-methyl-3-(3-oxocyclohexen-1-yl)piperidin-2-one?
The InChIKey is YEVCQAHYSHCAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-13-7-3-6-11(12(13)15)9-4-2-5-10(14)8-9/h8,11H,2-7H2,1H3.
What are the key properties of 1-methyl-3-(3-oxocyclohexen-1-yl)piperidin-2-one?
1-methyl-3-(3-oxocyclohexen-1-yl)piperidin-2-one has a molecular weight of 207.27 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-oxocyclohexen-1-yl)piperidin-2-one is sourced from PubChem (CID 12665515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).