cyclopropa-1,2-diene-1-carbonitrile

C4HN — CID 100922189

IUPACcyclopropa-1,2-diene-1-carbonitrile
SMILESN#CC1=C=C1
InChIInChI=1S/C4HN/c5-3-4-1-2-4/h1H
InChIKeyRRSLKEZTFAPRQW-UHFFFAOYSA-N
MW63.06 g/mol
LogP0.61
Rot. Bonds

About cyclopropa-1,2-diene-1-carbonitrile

cyclopropa-1,2-diene-1-carbonitrile (PubChem CID 100922189) has the molecular formula C4HN and a molecular weight of 63.06 g/mol. Its IUPAC name is cyclopropa-1,2-diene-1-carbonitrile.

Molecular Properties

Compound Namecyclopropa-1,2-diene-1-carbonitrile
PubChem CID100922189
Molecular FormulaC4HN
Molecular Weight63.06 g/mol
Exact Mass63.01
IUPAC Namecyclopropa-1,2-diene-1-carbonitrile
SMILESN#CC1=C=C1
InChIInChI=1S/C4HN/c5-3-4-1-2-4/h1H
InChIKeyRRSLKEZTFAPRQW-UHFFFAOYSA-N
XLogP0.61
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50063.06
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze cyclopropa-1,2-diene-1-carbonitrile 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 cyclopropa-1,2-diene-1-carbonitrile?
The IUPAC name of cyclopropa-1,2-diene-1-carbonitrile (CID 100922189) is cyclopropa-1,2-diene-1-carbonitrile.
What is the SMILES notation for cyclopropa-1,2-diene-1-carbonitrile?
The canonical SMILES for cyclopropa-1,2-diene-1-carbonitrile is N#CC1=C=C1.
What is the InChIKey of cyclopropa-1,2-diene-1-carbonitrile?
The InChIKey is RRSLKEZTFAPRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HN/c5-3-4-1-2-4/h1H.
What are the key properties of cyclopropa-1,2-diene-1-carbonitrile?
cyclopropa-1,2-diene-1-carbonitrile has a molecular weight of 63.06 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropa-1,2-diene-1-carbonitrile is sourced from PubChem (CID 100922189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).