6-methyl-4-oxopiperidine-3-carbonitrile

C7H10N2O — CID 11126327

IUPAC6-methyl-4-oxopiperidine-3-carbonitrile
SMILESCC1CC(=O)C(C#N)CN1
InChIInChI=1S/C7H10N2O/c1-5-2-7(10)6(3-8)4-9-5/h5-6,9H,2,4H2,1H3
InChIKeyPDHHQVRSUXAIOD-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.08
Rot. Bonds

About 6-methyl-4-oxopiperidine-3-carbonitrile

6-methyl-4-oxopiperidine-3-carbonitrile (PubChem CID 11126327) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 6-methyl-4-oxopiperidine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-4-oxopiperidine-3-carbonitrile
PubChem CID11126327
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name6-methyl-4-oxopiperidine-3-carbonitrile
SMILESCC1CC(=O)C(C#N)CN1
InChIInChI=1S/C7H10N2O/c1-5-2-7(10)6(3-8)4-9-5/h5-6,9H,2,4H2,1H3
InChIKeyPDHHQVRSUXAIOD-UHFFFAOYSA-N
XLogP0.08
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_keto_A(2)', 'substructure': 'N/A'}

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Related Compounds

3,7-dimethyl-1,4-diazepan-5-one
CID 55287243
2,6-dimethylpiperidin-4-one
CID 11040712
1-methyl-2,5-dioxopyrrolidine-3-carbonitrile
CID 83815093
3-methyl-2-oxocycloheptane-1-carbonitrile
CID 11094808
2-methyl-6-oxopiperidine-3-carbonitrile
CID 118992971
(2R)-2,7-dimethyl-1,4-diazepan-5-one
CID 55300700
2-methyl-1,2,3,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-4-one
CID 140974406
5-methyl-2-sulfanylidenepiperidine-3-carbonitrile
CID 130136264
5-methylpyrrolidin-2-one;hydrate
CID 142802417
(8S,12S,16S)-4,8,12,16-tetramethyl-1,5,9,13-tetrazacyclohexadecane-2,6,10,14-tetrone
CID 177427940
2-methylazepan-4-one;hydrochloride
CID 164872779
4,7-dimethyl-1,4,6,7-tetrahydro-1,3-diazepin-5-one
CID 163441742

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxopiperidine-3-carbonitrile?
The IUPAC name of 6-methyl-4-oxopiperidine-3-carbonitrile (CID 11126327) is 6-methyl-4-oxopiperidine-3-carbonitrile.
What is the SMILES notation for 6-methyl-4-oxopiperidine-3-carbonitrile?
The canonical SMILES for 6-methyl-4-oxopiperidine-3-carbonitrile is CC1CC(=O)C(C#N)CN1.
What is the InChIKey of 6-methyl-4-oxopiperidine-3-carbonitrile?
The InChIKey is PDHHQVRSUXAIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5-2-7(10)6(3-8)4-9-5/h5-6,9H,2,4H2,1H3.
What are the key properties of 6-methyl-4-oxopiperidine-3-carbonitrile?
6-methyl-4-oxopiperidine-3-carbonitrile has a molecular weight of 138.17 g/mol, XLogP of 0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxopiperidine-3-carbonitrile is sourced from PubChem (CID 11126327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).