2-(2-methyl-1,3-dioxolan-2-yl)propanenitrile

C7H11NO2 — CID 11320982

IUPAC2-(2-methyl-1,3-dioxolan-2-yl)propanenitrile
SMILESCC(C#N)C1(C)OCCO1
InChIInChI=1S/C7H11NO2/c1-6(5-8)7(2)9-3-4-10-7/h6H,3-4H2,1-2H3
InChIKeyUFZYMHHKMMOXRA-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.91
Rot. Bonds1

About 2-(2-methyl-1,3-dioxolan-2-yl)propanenitrile

2-(2-methyl-1,3-dioxolan-2-yl)propanenitrile (PubChem CID 11320982) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(2-methyl-1,3-dioxolan-2-yl)propanenitrile.

Molecular Properties

Compound Name2-(2-methyl-1,3-dioxolan-2-yl)propanenitrile
PubChem CID11320982
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-(2-methyl-1,3-dioxolan-2-yl)propanenitrile
SMILESCC(C#N)C1(C)OCCO1
InChIInChI=1S/C7H11NO2/c1-6(5-8)7(2)9-3-4-10-7/h6H,3-4H2,1-2H3
InChIKeyUFZYMHHKMMOXRA-UHFFFAOYSA-N
XLogP0.91
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-methyl-1,3-dioxolan-2-yl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-dioxolan-2-yl)propanenitrile?
The IUPAC name of 2-(2-methyl-1,3-dioxolan-2-yl)propanenitrile (CID 11320982) is 2-(2-methyl-1,3-dioxolan-2-yl)propanenitrile.
What is the SMILES notation for 2-(2-methyl-1,3-dioxolan-2-yl)propanenitrile?
The canonical SMILES for 2-(2-methyl-1,3-dioxolan-2-yl)propanenitrile is CC(C#N)C1(C)OCCO1.
What is the InChIKey of 2-(2-methyl-1,3-dioxolan-2-yl)propanenitrile?
The InChIKey is UFZYMHHKMMOXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-6(5-8)7(2)9-3-4-10-7/h6H,3-4H2,1-2H3.
What are the key properties of 2-(2-methyl-1,3-dioxolan-2-yl)propanenitrile?
2-(2-methyl-1,3-dioxolan-2-yl)propanenitrile has a molecular weight of 141.17 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-dioxolan-2-yl)propanenitrile is sourced from PubChem (CID 11320982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).