2-[(1S)-1-bicyclo[1.1.0]but-2-enyl]-N-methylethanamine

C7H11N — CID 118198731

IUPAC2-[(1S)-1-bicyclo[1.1.0]but-2-enyl]-N-methylethanamine
SMILESCNCC[C@@]12C=C1C2
InChIInChI=1S/C7H11N/c1-8-3-2-7-4-6(7)5-7/h4,8H,2-3,5H2,1H3/t7-/m0/s1
InChIKeyGDVJEZLEPIFEFZ-ZETCQYMHSA-N
MW109.17 g/mol
LogP0.93
Rot. Bonds3

About 2-[(1S)-1-bicyclo[1.1.0]but-2-enyl]-N-methylethanamine

2-[(1S)-1-bicyclo[1.1.0]but-2-enyl]-N-methylethanamine (PubChem CID 118198731) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2-[(1S)-1-bicyclo[1.1.0]but-2-enyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[(1S)-1-bicyclo[1.1.0]but-2-enyl]-N-methylethanamine
PubChem CID118198731
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2-[(1S)-1-bicyclo[1.1.0]but-2-enyl]-N-methylethanamine
SMILESCNCC[C@@]12C=C1C2
InChIInChI=1S/C7H11N/c1-8-3-2-7-4-6(7)5-7/h4,8H,2-3,5H2,1H3/t7-/m0/s1
InChIKeyGDVJEZLEPIFEFZ-ZETCQYMHSA-N
XLogP0.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(1S)-1-bicyclo[1.1.0]but-2-enyl]-N-methylethanamine 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-[(1S)-1-bicyclo[1.1.0]but-2-enyl]-N-methylethanamine?
The IUPAC name of 2-[(1S)-1-bicyclo[1.1.0]but-2-enyl]-N-methylethanamine (CID 118198731) is 2-[(1S)-1-bicyclo[1.1.0]but-2-enyl]-N-methylethanamine.
What is the SMILES notation for 2-[(1S)-1-bicyclo[1.1.0]but-2-enyl]-N-methylethanamine?
The canonical SMILES for 2-[(1S)-1-bicyclo[1.1.0]but-2-enyl]-N-methylethanamine is CNCC[C@@]12C=C1C2.
What is the InChIKey of 2-[(1S)-1-bicyclo[1.1.0]but-2-enyl]-N-methylethanamine?
The InChIKey is GDVJEZLEPIFEFZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H11N/c1-8-3-2-7-4-6(7)5-7/h4,8H,2-3,5H2,1H3/t7-/m0/s1.
What are the key properties of 2-[(1S)-1-bicyclo[1.1.0]but-2-enyl]-N-methylethanamine?
2-[(1S)-1-bicyclo[1.1.0]but-2-enyl]-N-methylethanamine has a molecular weight of 109.17 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-bicyclo[1.1.0]but-2-enyl]-N-methylethanamine is sourced from PubChem (CID 118198731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).