[(5S)-6-bicyclo[3.1.0]hex-2-enyl]methanediamine

C7H12N2 — CID 118642061

IUPAC[(5S)-6-bicyclo[3.1.0]hex-2-enyl]methanediamine
SMILESNC(N)C1C2C=CC[C@@H]21
InChIInChI=1S/C7H12N2/c8-7(9)6-4-2-1-3-5(4)6/h1-2,4-7H,3,8-9H2/t4?,5-,6?/m0/s1
InChIKeySSTWPOYVCIDTBF-XRVVJQKQSA-N
MW124.19 g/mol
LogP0.05
Rot. Bonds1

About [(5S)-6-bicyclo[3.1.0]hex-2-enyl]methanediamine

[(5S)-6-bicyclo[3.1.0]hex-2-enyl]methanediamine (PubChem CID 118642061) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is [(5S)-6-bicyclo[3.1.0]hex-2-enyl]methanediamine.

Molecular Properties

Compound Name[(5S)-6-bicyclo[3.1.0]hex-2-enyl]methanediamine
PubChem CID118642061
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name[(5S)-6-bicyclo[3.1.0]hex-2-enyl]methanediamine
SMILESNC(N)C1C2C=CC[C@@H]21
InChIInChI=1S/C7H12N2/c8-7(9)6-4-2-1-3-5(4)6/h1-2,4-7H,3,8-9H2/t4?,5-,6?/m0/s1
InChIKeySSTWPOYVCIDTBF-XRVVJQKQSA-N
XLogP0.05
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(5S)-6-bicyclo[3.1.0]hex-2-enyl]methanediamine?
The IUPAC name of [(5S)-6-bicyclo[3.1.0]hex-2-enyl]methanediamine (CID 118642061) is [(5S)-6-bicyclo[3.1.0]hex-2-enyl]methanediamine.
What is the SMILES notation for [(5S)-6-bicyclo[3.1.0]hex-2-enyl]methanediamine?
The canonical SMILES for [(5S)-6-bicyclo[3.1.0]hex-2-enyl]methanediamine is NC(N)C1C2C=CC[C@@H]21.
What is the InChIKey of [(5S)-6-bicyclo[3.1.0]hex-2-enyl]methanediamine?
The InChIKey is SSTWPOYVCIDTBF-XRVVJQKQSA-N. The full InChI is InChI=1S/C7H12N2/c8-7(9)6-4-2-1-3-5(4)6/h1-2,4-7H,3,8-9H2/t4?,5-,6?/m0/s1.
What are the key properties of [(5S)-6-bicyclo[3.1.0]hex-2-enyl]methanediamine?
[(5S)-6-bicyclo[3.1.0]hex-2-enyl]methanediamine has a molecular weight of 124.19 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-6-bicyclo[3.1.0]hex-2-enyl]methanediamine is sourced from PubChem (CID 118642061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).