4-(1,3-dioxolan-2-yl)pentanenitrile

C8H13NO2 — CID 10654458

IUPAC4-(1,3-dioxolan-2-yl)pentanenitrile
SMILESCC(CCC#N)C1OCCO1
InChIInChI=1S/C8H13NO2/c1-7(3-2-4-9)8-10-5-6-11-8/h7-8H,2-3,5-6H2,1H3
InChIKeyOXJDDJYZVKWNOF-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.30
Rot. Bonds3

About 4-(1,3-dioxolan-2-yl)pentanenitrile

4-(1,3-dioxolan-2-yl)pentanenitrile (PubChem CID 10654458) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)pentanenitrile.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)pentanenitrile
PubChem CID10654458
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-(1,3-dioxolan-2-yl)pentanenitrile
SMILESCC(CCC#N)C1OCCO1
InChIInChI=1S/C8H13NO2/c1-7(3-2-4-9)8-10-5-6-11-8/h7-8H,2-3,5-6H2,1H3
InChIKeyOXJDDJYZVKWNOF-UHFFFAOYSA-N
XLogP1.30
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(1,3-dioxolan-2-yl)pentanenitrile 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 4-(1,3-dioxolan-2-yl)pentanenitrile?
The IUPAC name of 4-(1,3-dioxolan-2-yl)pentanenitrile (CID 10654458) is 4-(1,3-dioxolan-2-yl)pentanenitrile.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)pentanenitrile?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)pentanenitrile is CC(CCC#N)C1OCCO1.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)pentanenitrile?
The InChIKey is OXJDDJYZVKWNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7(3-2-4-9)8-10-5-6-11-8/h7-8H,2-3,5-6H2,1H3.
What are the key properties of 4-(1,3-dioxolan-2-yl)pentanenitrile?
4-(1,3-dioxolan-2-yl)pentanenitrile has a molecular weight of 155.20 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)pentanenitrile is sourced from PubChem (CID 10654458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).