1-prop-2-enylaziridine-2-carbonitrile

C6H8N2 — CID 11274981

IUPAC1-prop-2-enylaziridine-2-carbonitrile
SMILESC=CCN1CC1C#N
InChIInChI=1S/C6H8N2/c1-2-3-8-5-6(8)4-7/h2,6H,1,3,5H2
InChIKeyBJLDYFPRUVXRSV-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.38
Rot. Bonds2

About 1-prop-2-enylaziridine-2-carbonitrile

1-prop-2-enylaziridine-2-carbonitrile (PubChem CID 11274981) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 1-prop-2-enylaziridine-2-carbonitrile.

Molecular Properties

Compound Name1-prop-2-enylaziridine-2-carbonitrile
PubChem CID11274981
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name1-prop-2-enylaziridine-2-carbonitrile
SMILESC=CCN1CC1C#N
InChIInChI=1S/C6H8N2/c1-2-3-8-5-6(8)4-7/h2,6H,1,3,5H2
InChIKeyBJLDYFPRUVXRSV-UHFFFAOYSA-N
XLogP0.38
TPSA26.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-prop-2-enylaziridine-2-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 1-prop-2-enylaziridine-2-carbonitrile?
The IUPAC name of 1-prop-2-enylaziridine-2-carbonitrile (CID 11274981) is 1-prop-2-enylaziridine-2-carbonitrile.
What is the SMILES notation for 1-prop-2-enylaziridine-2-carbonitrile?
The canonical SMILES for 1-prop-2-enylaziridine-2-carbonitrile is C=CCN1CC1C#N.
What is the InChIKey of 1-prop-2-enylaziridine-2-carbonitrile?
The InChIKey is BJLDYFPRUVXRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-2-3-8-5-6(8)4-7/h2,6H,1,3,5H2.
What are the key properties of 1-prop-2-enylaziridine-2-carbonitrile?
1-prop-2-enylaziridine-2-carbonitrile has a molecular weight of 108.14 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylaziridine-2-carbonitrile is sourced from PubChem (CID 11274981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).