3-methyl-6-oxopiperidine-3-carbonitrile

C7H10N2O — CID 122163268

IUPAC3-methyl-6-oxopiperidine-3-carbonitrile
SMILESCC1(C#N)CCC(=O)NC1
InChIInChI=1S/C7H10N2O/c1-7(4-8)3-2-6(10)9-5-7/h2-3,5H2,1H3,(H,9,10)
InChIKeyBBDKTWRDZSLWAA-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.43
Rot. Bonds

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

3-methyl-6-oxopiperidine-3-carbonitrile (PubChem CID 122163268) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-methyl-6-oxopiperidine-3-carbonitrile.

Molecular Properties

Compound Name3-methyl-6-oxopiperidine-3-carbonitrile
PubChem CID122163268
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-methyl-6-oxopiperidine-3-carbonitrile
SMILESCC1(C#N)CCC(=O)NC1
InChIInChI=1S/C7H10N2O/c1-7(4-8)3-2-6(10)9-5-7/h2-3,5H2,1H3,(H,9,10)
InChIKeyBBDKTWRDZSLWAA-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-oxopiperidine-3-carbonitrile?
The IUPAC name of 3-methyl-6-oxopiperidine-3-carbonitrile (CID 122163268) is 3-methyl-6-oxopiperidine-3-carbonitrile.
What is the SMILES notation for 3-methyl-6-oxopiperidine-3-carbonitrile?
The canonical SMILES for 3-methyl-6-oxopiperidine-3-carbonitrile is CC1(C#N)CCC(=O)NC1.
What is the InChIKey of 3-methyl-6-oxopiperidine-3-carbonitrile?
The InChIKey is BBDKTWRDZSLWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-7(4-8)3-2-6(10)9-5-7/h2-3,5H2,1H3,(H,9,10).
What are the key properties of 3-methyl-6-oxopiperidine-3-carbonitrile?
3-methyl-6-oxopiperidine-3-carbonitrile has a molecular weight of 138.17 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-oxopiperidine-3-carbonitrile is sourced from PubChem (CID 122163268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).