2-(4-oxopiperidin-1-yl)acetonitrile

C7H10N2O — CID 2760921

IUPAC2-(4-oxopiperidin-1-yl)acetonitrile
SMILESN#CCN1CCC(=O)CC1
InChIInChI=1S/C7H10N2O/c8-3-6-9-4-1-7(10)2-5-9/h1-2,4-6H2
InChIKeyYTWDXILKGPTDNE-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.17
Rot. Bonds1

About 2-(4-oxopiperidin-1-yl)acetonitrile

2-(4-oxopiperidin-1-yl)acetonitrile (PubChem CID 2760921) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-(4-oxopiperidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-oxopiperidin-1-yl)acetonitrile
PubChem CID2760921
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2-(4-oxopiperidin-1-yl)acetonitrile
SMILESN#CCN1CCC(=O)CC1
InChIInChI=1S/C7H10N2O/c8-3-6-9-4-1-7(10)2-5-9/h1-2,4-6H2
InChIKeyYTWDXILKGPTDNE-UHFFFAOYSA-N
XLogP0.17
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxopiperidin-1-yl)acetonitrile?
The IUPAC name of 2-(4-oxopiperidin-1-yl)acetonitrile (CID 2760921) is 2-(4-oxopiperidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(4-oxopiperidin-1-yl)acetonitrile?
The canonical SMILES for 2-(4-oxopiperidin-1-yl)acetonitrile is N#CCN1CCC(=O)CC1.
What is the InChIKey of 2-(4-oxopiperidin-1-yl)acetonitrile?
The InChIKey is YTWDXILKGPTDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c8-3-6-9-4-1-7(10)2-5-9/h1-2,4-6H2.
What are the key properties of 2-(4-oxopiperidin-1-yl)acetonitrile?
2-(4-oxopiperidin-1-yl)acetonitrile has a molecular weight of 138.17 g/mol, XLogP of 0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxopiperidin-1-yl)acetonitrile is sourced from PubChem (CID 2760921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).