2-(2-oxopyrrolidin-1-yl)acetonitrile

C6H8N2O — CID 13229976

IUPAC2-(2-oxopyrrolidin-1-yl)acetonitrile
SMILESN#CCN1CCCC1=O
InChIInChI=1S/C6H8N2O/c7-3-5-8-4-1-2-6(8)9/h1-2,4-5H2
InChIKeyFQUDPVDIXKVBNY-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.13
Rot. Bonds1

About 2-(2-oxopyrrolidin-1-yl)acetonitrile

2-(2-oxopyrrolidin-1-yl)acetonitrile (PubChem CID 13229976) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)acetonitrile
PubChem CID13229976
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name2-(2-oxopyrrolidin-1-yl)acetonitrile
SMILESN#CCN1CCCC1=O
InChIInChI=1S/C6H8N2O/c7-3-5-8-4-1-2-6(8)9/h1-2,4-5H2
InChIKeyFQUDPVDIXKVBNY-UHFFFAOYSA-N
XLogP0.13
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-oxopyrrolidin-1-yl)acetonitrile?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)acetonitrile (CID 13229976) is 2-(2-oxopyrrolidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)acetonitrile?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)acetonitrile is N#CCN1CCCC1=O.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)acetonitrile?
The InChIKey is FQUDPVDIXKVBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c7-3-5-8-4-1-2-6(8)9/h1-2,4-5H2.
What are the key properties of 2-(2-oxopyrrolidin-1-yl)acetonitrile?
2-(2-oxopyrrolidin-1-yl)acetonitrile has a molecular weight of 124.14 g/mol, XLogP of 0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)acetonitrile is sourced from PubChem (CID 13229976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).