4-(3-oxo-1,2-oxazolidin-2-yl)butanenitrile

C7H10N2O2 — CID 150030113

IUPAC4-(3-oxo-1,2-oxazolidin-2-yl)butanenitrile
SMILESN#CCCCN1OCCC1=O
InChIInChI=1S/C7H10N2O2/c8-4-1-2-5-9-7(10)3-6-11-9/h1-3,5-6H2
InChIKeyDHBNEHGDCWYOPA-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.45
Rot. Bonds3

About 4-(3-oxo-1,2-oxazolidin-2-yl)butanenitrile

4-(3-oxo-1,2-oxazolidin-2-yl)butanenitrile (PubChem CID 150030113) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-(3-oxo-1,2-oxazolidin-2-yl)butanenitrile.

Molecular Properties

Compound Name4-(3-oxo-1,2-oxazolidin-2-yl)butanenitrile
PubChem CID150030113
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name4-(3-oxo-1,2-oxazolidin-2-yl)butanenitrile
SMILESN#CCCCN1OCCC1=O
InChIInChI=1S/C7H10N2O2/c8-4-1-2-5-9-7(10)3-6-11-9/h1-3,5-6H2
InChIKeyDHBNEHGDCWYOPA-UHFFFAOYSA-N
XLogP0.45
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-oxo-1,2-oxazolidin-2-yl)butanenitrile?
The IUPAC name of 4-(3-oxo-1,2-oxazolidin-2-yl)butanenitrile (CID 150030113) is 4-(3-oxo-1,2-oxazolidin-2-yl)butanenitrile.
What is the SMILES notation for 4-(3-oxo-1,2-oxazolidin-2-yl)butanenitrile?
The canonical SMILES for 4-(3-oxo-1,2-oxazolidin-2-yl)butanenitrile is N#CCCCN1OCCC1=O.
What is the InChIKey of 4-(3-oxo-1,2-oxazolidin-2-yl)butanenitrile?
The InChIKey is DHBNEHGDCWYOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c8-4-1-2-5-9-7(10)3-6-11-9/h1-3,5-6H2.
What are the key properties of 4-(3-oxo-1,2-oxazolidin-2-yl)butanenitrile?
4-(3-oxo-1,2-oxazolidin-2-yl)butanenitrile has a molecular weight of 154.17 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxo-1,2-oxazolidin-2-yl)butanenitrile is sourced from PubChem (CID 150030113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).