3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanenitrile

C8H12N2O — CID 134957669

IUPAC3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanenitrile
SMILESCC1(C)CC(=O)N1CCC#N
InChIInChI=1S/C8H12N2O/c1-8(2)6-7(11)10(8)5-3-4-9/h3,5-6H2,1-2H3
InChIKeyDRADSPNYQPBQON-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.91
Rot. Bonds2

About 3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanenitrile

3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanenitrile (PubChem CID 134957669) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanenitrile
PubChem CID134957669
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanenitrile
SMILESCC1(C)CC(=O)N1CCC#N
InChIInChI=1S/C8H12N2O/c1-8(2)6-7(11)10(8)5-3-4-9/h3,5-6H2,1-2H3
InChIKeyDRADSPNYQPBQON-UHFFFAOYSA-N
XLogP0.91
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanenitrile?
The IUPAC name of 3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanenitrile (CID 134957669) is 3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanenitrile.
What is the SMILES notation for 3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanenitrile?
The canonical SMILES for 3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanenitrile is CC1(C)CC(=O)N1CCC#N.
What is the InChIKey of 3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanenitrile?
The InChIKey is DRADSPNYQPBQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-8(2)6-7(11)10(8)5-3-4-9/h3,5-6H2,1-2H3.
What are the key properties of 3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanenitrile?
3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanenitrile has a molecular weight of 152.20 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanenitrile is sourced from PubChem (CID 134957669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).