2-(1-formylcyclopropyl)acetonitrile

C6H7NO — CID 22978371

IUPAC2-(1-formylcyclopropyl)acetonitrile
SMILESN#CCC1(C=O)CC1
InChIInChI=1S/C6H7NO/c7-4-3-6(5-8)1-2-6/h5H,1-3H2
InChIKeyWETCYLZJPYQRMI-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.88
Rot. Bonds2

About 2-(1-formylcyclopropyl)acetonitrile

2-(1-formylcyclopropyl)acetonitrile (PubChem CID 22978371) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 2-(1-formylcyclopropyl)acetonitrile.

Molecular Properties

Compound Name2-(1-formylcyclopropyl)acetonitrile
PubChem CID22978371
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name2-(1-formylcyclopropyl)acetonitrile
SMILESN#CCC1(C=O)CC1
InChIInChI=1S/C6H7NO/c7-4-3-6(5-8)1-2-6/h5H,1-3H2
InChIKeyWETCYLZJPYQRMI-UHFFFAOYSA-N
XLogP0.88
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-formylcyclopropyl)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-formylcyclopropyl)acetonitrile?
The IUPAC name of 2-(1-formylcyclopropyl)acetonitrile (CID 22978371) is 2-(1-formylcyclopropyl)acetonitrile.
What is the SMILES notation for 2-(1-formylcyclopropyl)acetonitrile?
The canonical SMILES for 2-(1-formylcyclopropyl)acetonitrile is N#CCC1(C=O)CC1.
What is the InChIKey of 2-(1-formylcyclopropyl)acetonitrile?
The InChIKey is WETCYLZJPYQRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c7-4-3-6(5-8)1-2-6/h5H,1-3H2.
What are the key properties of 2-(1-formylcyclopropyl)acetonitrile?
2-(1-formylcyclopropyl)acetonitrile has a molecular weight of 109.13 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-formylcyclopropyl)acetonitrile is sourced from PubChem (CID 22978371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).