7-azabicyclo[4.1.0]hept-3-en-7-amine

C6H10N2 — CID 53438679

IUPAC7-azabicyclo[4.1.0]hept-3-en-7-amine
SMILESNN1C2CC=CCC21
InChIInChI=1S/C6H10N2/c7-8-5-3-1-2-4-6(5)8/h1-2,5-6H,3-4,7H2
InChIKeyYGTAFUALATXBJT-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.26
Rot. Bonds

About 7-azabicyclo[4.1.0]hept-3-en-7-amine

7-azabicyclo[4.1.0]hept-3-en-7-amine (PubChem CID 53438679) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 7-azabicyclo[4.1.0]hept-3-en-7-amine.

Molecular Properties

Compound Name7-azabicyclo[4.1.0]hept-3-en-7-amine
PubChem CID53438679
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name7-azabicyclo[4.1.0]hept-3-en-7-amine
SMILESNN1C2CC=CCC21
InChIInChI=1S/C6H10N2/c7-8-5-3-1-2-4-6(5)8/h1-2,5-6H,3-4,7H2
InChIKeyYGTAFUALATXBJT-UHFFFAOYSA-N
XLogP0.26
TPSA29.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-azabicyclo[4.1.0]hept-3-en-7-amine 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 7-azabicyclo[4.1.0]hept-3-en-7-amine?
The IUPAC name of 7-azabicyclo[4.1.0]hept-3-en-7-amine (CID 53438679) is 7-azabicyclo[4.1.0]hept-3-en-7-amine.
What is the SMILES notation for 7-azabicyclo[4.1.0]hept-3-en-7-amine?
The canonical SMILES for 7-azabicyclo[4.1.0]hept-3-en-7-amine is NN1C2CC=CCC21.
What is the InChIKey of 7-azabicyclo[4.1.0]hept-3-en-7-amine?
The InChIKey is YGTAFUALATXBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c7-8-5-3-1-2-4-6(5)8/h1-2,5-6H,3-4,7H2.
What are the key properties of 7-azabicyclo[4.1.0]hept-3-en-7-amine?
7-azabicyclo[4.1.0]hept-3-en-7-amine has a molecular weight of 110.16 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[4.1.0]hept-3-en-7-amine is sourced from PubChem (CID 53438679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).