2-(oxasilinan-2-yl)propanenitrile

C7H13NOSi — CID 173073670

IUPAC2-(oxasilinan-2-yl)propanenitrile
SMILESCC(C#N)[SiH]1CCCCO1
InChIInChI=1S/C7H13NOSi/c1-7(6-8)10-5-3-2-4-9-10/h7,10H,2-5H2,1H3
InChIKeyWMPKZSXKPZVCQP-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.43
Rot. Bonds1

About 2-(oxasilinan-2-yl)propanenitrile

2-(oxasilinan-2-yl)propanenitrile (PubChem CID 173073670) has the molecular formula C7H13NOSi and a molecular weight of 155.27 g/mol. Its IUPAC name is 2-(oxasilinan-2-yl)propanenitrile.

Molecular Properties

Compound Name2-(oxasilinan-2-yl)propanenitrile
PubChem CID173073670
Molecular FormulaC7H13NOSi
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2-(oxasilinan-2-yl)propanenitrile
SMILESCC(C#N)[SiH]1CCCCO1
InChIInChI=1S/C7H13NOSi/c1-7(6-8)10-5-3-2-4-9-10/h7,10H,2-5H2,1H3
InChIKeyWMPKZSXKPZVCQP-UHFFFAOYSA-N
XLogP1.43
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(oxasilinan-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-(oxasilinan-2-yl)propanenitrile?
The IUPAC name of 2-(oxasilinan-2-yl)propanenitrile (CID 173073670) is 2-(oxasilinan-2-yl)propanenitrile.
What is the SMILES notation for 2-(oxasilinan-2-yl)propanenitrile?
The canonical SMILES for 2-(oxasilinan-2-yl)propanenitrile is CC(C#N)[SiH]1CCCCO1.
What is the InChIKey of 2-(oxasilinan-2-yl)propanenitrile?
The InChIKey is WMPKZSXKPZVCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOSi/c1-7(6-8)10-5-3-2-4-9-10/h7,10H,2-5H2,1H3.
What are the key properties of 2-(oxasilinan-2-yl)propanenitrile?
2-(oxasilinan-2-yl)propanenitrile has a molecular weight of 155.27 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxasilinan-2-yl)propanenitrile is sourced from PubChem (CID 173073670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).