2-methyl-6-oxopiperidine-3-carbonitrile

C7H10N2O — CID 118992971

IUPAC2-methyl-6-oxopiperidine-3-carbonitrile
SMILESCC1NC(=O)CCC1C#N
InChIInChI=1S/C7H10N2O/c1-5-6(4-8)2-3-7(10)9-5/h5-6H,2-3H2,1H3,(H,9,10)
InChIKeyQHIXHBVTXVWUOW-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.42
Rot. Bonds

About 2-methyl-6-oxopiperidine-3-carbonitrile

2-methyl-6-oxopiperidine-3-carbonitrile (PubChem CID 118992971) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-methyl-6-oxopiperidine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-oxopiperidine-3-carbonitrile
PubChem CID118992971
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2-methyl-6-oxopiperidine-3-carbonitrile
SMILESCC1NC(=O)CCC1C#N
InChIInChI=1S/C7H10N2O/c1-5-6(4-8)2-3-7(10)9-5/h5-6H,2-3H2,1H3,(H,9,10)
InChIKeyQHIXHBVTXVWUOW-UHFFFAOYSA-N
XLogP0.42
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxopiperidine-3-carbonitrile?
The IUPAC name of 2-methyl-6-oxopiperidine-3-carbonitrile (CID 118992971) is 2-methyl-6-oxopiperidine-3-carbonitrile.
What is the SMILES notation for 2-methyl-6-oxopiperidine-3-carbonitrile?
The canonical SMILES for 2-methyl-6-oxopiperidine-3-carbonitrile is CC1NC(=O)CCC1C#N.
What is the InChIKey of 2-methyl-6-oxopiperidine-3-carbonitrile?
The InChIKey is QHIXHBVTXVWUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5-6(4-8)2-3-7(10)9-5/h5-6H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-methyl-6-oxopiperidine-3-carbonitrile?
2-methyl-6-oxopiperidine-3-carbonitrile has a molecular weight of 138.17 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxopiperidine-3-carbonitrile is sourced from PubChem (CID 118992971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).