2-(1-propan-2-ylcyclopropyl)acetonitrile

C8H13N — CID 59458677

IUPAC2-(1-propan-2-ylcyclopropyl)acetonitrile
SMILESCC(C)C1(CC#N)CC1
InChIInChI=1S/C8H13N/c1-7(2)8(3-4-8)5-6-9/h7H,3-5H2,1-2H3
InChIKeyDNAFDQUPHMXJIF-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.34
Rot. Bonds2

About 2-(1-propan-2-ylcyclopropyl)acetonitrile

2-(1-propan-2-ylcyclopropyl)acetonitrile (PubChem CID 59458677) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-(1-propan-2-ylcyclopropyl)acetonitrile.

Molecular Properties

Compound Name2-(1-propan-2-ylcyclopropyl)acetonitrile
PubChem CID59458677
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-(1-propan-2-ylcyclopropyl)acetonitrile
SMILESCC(C)C1(CC#N)CC1
InChIInChI=1S/C8H13N/c1-7(2)8(3-4-8)5-6-9/h7H,3-5H2,1-2H3
InChIKeyDNAFDQUPHMXJIF-UHFFFAOYSA-N
XLogP2.34
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(1-propan-2-ylcyclopropyl)acetonitrile 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-(1-propan-2-ylcyclopropyl)acetonitrile?
The IUPAC name of 2-(1-propan-2-ylcyclopropyl)acetonitrile (CID 59458677) is 2-(1-propan-2-ylcyclopropyl)acetonitrile.
What is the SMILES notation for 2-(1-propan-2-ylcyclopropyl)acetonitrile?
The canonical SMILES for 2-(1-propan-2-ylcyclopropyl)acetonitrile is CC(C)C1(CC#N)CC1.
What is the InChIKey of 2-(1-propan-2-ylcyclopropyl)acetonitrile?
The InChIKey is DNAFDQUPHMXJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7(2)8(3-4-8)5-6-9/h7H,3-5H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylcyclopropyl)acetonitrile?
2-(1-propan-2-ylcyclopropyl)acetonitrile has a molecular weight of 123.20 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylcyclopropyl)acetonitrile is sourced from PubChem (CID 59458677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).