6-oxopiperidine-3-carbonitrile

C6H8N2O — CID 10953491

IUPAC6-oxopiperidine-3-carbonitrile
SMILESN#CC1CCC(=O)NC1
InChIInChI=1S/C6H8N2O/c7-3-5-1-2-6(9)8-4-5/h5H,1-2,4H2,(H,8,9)
InChIKeyFXTGTOXQIWOZCB-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.04
Rot. Bonds

About 6-oxopiperidine-3-carbonitrile

6-oxopiperidine-3-carbonitrile (PubChem CID 10953491) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 6-oxopiperidine-3-carbonitrile.

Molecular Properties

Compound Name6-oxopiperidine-3-carbonitrile
PubChem CID10953491
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name6-oxopiperidine-3-carbonitrile
SMILESN#CC1CCC(=O)NC1
InChIInChI=1S/C6H8N2O/c7-3-5-1-2-6(9)8-4-5/h5H,1-2,4H2,(H,8,9)
InChIKeyFXTGTOXQIWOZCB-UHFFFAOYSA-N
XLogP0.04
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxopiperidine-3-carbonitrile?
The IUPAC name of 6-oxopiperidine-3-carbonitrile (CID 10953491) is 6-oxopiperidine-3-carbonitrile.
What is the SMILES notation for 6-oxopiperidine-3-carbonitrile?
The canonical SMILES for 6-oxopiperidine-3-carbonitrile is N#CC1CCC(=O)NC1.
What is the InChIKey of 6-oxopiperidine-3-carbonitrile?
The InChIKey is FXTGTOXQIWOZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c7-3-5-1-2-6(9)8-4-5/h5H,1-2,4H2,(H,8,9).
What are the key properties of 6-oxopiperidine-3-carbonitrile?
6-oxopiperidine-3-carbonitrile has a molecular weight of 124.14 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxopiperidine-3-carbonitrile is sourced from PubChem (CID 10953491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).