2-(1,2-oxazolidin-2-yl)butanenitrile

C7H12N2O — CID 126993427

IUPAC2-(1,2-oxazolidin-2-yl)butanenitrile
SMILESCCC(C#N)N1CCCO1
InChIInChI=1S/C7H12N2O/c1-2-7(6-8)9-4-3-5-10-9/h7H,2-5H2,1H3
InChIKeyTWWIKTZSWVQMJE-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.93
Rot. Bonds2

About 2-(1,2-oxazolidin-2-yl)butanenitrile

2-(1,2-oxazolidin-2-yl)butanenitrile (PubChem CID 126993427) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-(1,2-oxazolidin-2-yl)butanenitrile.

Molecular Properties

Compound Name2-(1,2-oxazolidin-2-yl)butanenitrile
PubChem CID126993427
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-(1,2-oxazolidin-2-yl)butanenitrile
SMILESCCC(C#N)N1CCCO1
InChIInChI=1S/C7H12N2O/c1-2-7(6-8)9-4-3-5-10-9/h7H,2-5H2,1H3
InChIKeyTWWIKTZSWVQMJE-UHFFFAOYSA-N
XLogP0.93
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-oxazolidin-2-yl)propan-1-amine
CID 103392010
2-cyclobutyl-3-(1,2-oxazolidin-2-yl)propanenitrile
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2-(2-azaspiro[3.4]octan-2-yl)butanenitrile
CID 130643612
2-(1,1-dioxo-1,4-thiazepan-4-yl)butanenitrile
CID 105352567
2-[(3R)-3-aminopiperidin-1-yl]butanenitrile
CID 102985382
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butanenitrile
CID 55207107
2-[2-(aminomethyl)pyrrolidin-1-yl]butanenitrile
CID 115312740
2-[4-(oxan-4-ylmethyl)piperazin-1-yl]butanenitrile
CID 63339955
2-[4-(2,2-difluoroethyl)piperazin-1-yl]butanenitrile
CID 55219345
3-pent-1-yn-3-yl-1,3-oxazinan-2-one
CID 106226498
2-(3-hydroxypyrrolidin-1-yl)butanenitrile
CID 62916642
2-(4-but-3-en-2-ylpiperazin-1-yl)butanenitrile
CID 55219488

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazolidin-2-yl)butanenitrile?
The IUPAC name of 2-(1,2-oxazolidin-2-yl)butanenitrile (CID 126993427) is 2-(1,2-oxazolidin-2-yl)butanenitrile.
What is the SMILES notation for 2-(1,2-oxazolidin-2-yl)butanenitrile?
The canonical SMILES for 2-(1,2-oxazolidin-2-yl)butanenitrile is CCC(C#N)N1CCCO1.
What is the InChIKey of 2-(1,2-oxazolidin-2-yl)butanenitrile?
The InChIKey is TWWIKTZSWVQMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-7(6-8)9-4-3-5-10-9/h7H,2-5H2,1H3.
What are the key properties of 2-(1,2-oxazolidin-2-yl)butanenitrile?
2-(1,2-oxazolidin-2-yl)butanenitrile has a molecular weight of 140.19 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazolidin-2-yl)butanenitrile is sourced from PubChem (CID 126993427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).