2-hydroxy-3-oxopiperidine-2-carbonitrile

C6H8N2O2 — CID 55286081

IUPAC2-hydroxy-3-oxopiperidine-2-carbonitrile
SMILESN#CC1(O)NCCCC1=O
InChIInChI=1S/C6H8N2O2/c7-4-6(10)5(9)2-1-3-8-6/h8,10H,1-3H2
InChIKeyVQUAJPJXYFQPKN-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.85
Rot. Bonds

About 2-hydroxy-3-oxopiperidine-2-carbonitrile

2-hydroxy-3-oxopiperidine-2-carbonitrile (PubChem CID 55286081) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-hydroxy-3-oxopiperidine-2-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-3-oxopiperidine-2-carbonitrile
PubChem CID55286081
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2-hydroxy-3-oxopiperidine-2-carbonitrile
SMILESN#CC1(O)NCCCC1=O
InChIInChI=1S/C6H8N2O2/c7-4-6(10)5(9)2-1-3-8-6/h8,10H,1-3H2
InChIKeyVQUAJPJXYFQPKN-UHFFFAOYSA-N
XLogP-0.85
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-oxopiperidine-2-carbonitrile?
The IUPAC name of 2-hydroxy-3-oxopiperidine-2-carbonitrile (CID 55286081) is 2-hydroxy-3-oxopiperidine-2-carbonitrile.
What is the SMILES notation for 2-hydroxy-3-oxopiperidine-2-carbonitrile?
The canonical SMILES for 2-hydroxy-3-oxopiperidine-2-carbonitrile is N#CC1(O)NCCCC1=O.
What is the InChIKey of 2-hydroxy-3-oxopiperidine-2-carbonitrile?
The InChIKey is VQUAJPJXYFQPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c7-4-6(10)5(9)2-1-3-8-6/h8,10H,1-3H2.
What are the key properties of 2-hydroxy-3-oxopiperidine-2-carbonitrile?
2-hydroxy-3-oxopiperidine-2-carbonitrile has a molecular weight of 140.14 g/mol, XLogP of -0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-oxopiperidine-2-carbonitrile is sourced from PubChem (CID 55286081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).