(1R,6S,7R)-bicyclo[4.1.0]hept-2-en-7-amine;hydrochloride

C7H12ClN — CID 55283739

IUPAC(1R,6S,7R)-bicyclo[4.1.0]hept-2-en-7-amine;hydrochloride
SMILESCl.N[C@H]1[C@@H]2C=CCC[C@H]12
InChIInChI=1S/C7H11N.ClH/c8-7-5-3-1-2-4-6(5)7;/h1,3,5-7H,2,4,8H2;1H/t5-,6+,7+;/m1./s1
InChIKeySEYSUNOQESDGBR-NLRFIBDTSA-N
MW145.63 g/mol
LogP1.33
Rot. Bonds

About (1R,6S,7R)-bicyclo[4.1.0]hept-2-en-7-amine;hydrochloride

(1R,6S,7R)-bicyclo[4.1.0]hept-2-en-7-amine;hydrochloride (PubChem CID 55283739) has the molecular formula C7H12ClN and a molecular weight of 145.63 g/mol. Its IUPAC name is (1R,6S,7R)-bicyclo[4.1.0]hept-2-en-7-amine;hydrochloride.

Molecular Properties

Compound Name(1R,6S,7R)-bicyclo[4.1.0]hept-2-en-7-amine;hydrochloride
PubChem CID55283739
Molecular FormulaC7H12ClN
Molecular Weight145.63 g/mol
Exact Mass145.07
IUPAC Name(1R,6S,7R)-bicyclo[4.1.0]hept-2-en-7-amine;hydrochloride
SMILESCl.N[C@H]1[C@@H]2C=CCC[C@H]12
InChIInChI=1S/C7H11N.ClH/c8-7-5-3-1-2-4-6(5)7;/h1,3,5-7H,2,4,8H2;1H/t5-,6+,7+;/m1./s1
InChIKeySEYSUNOQESDGBR-NLRFIBDTSA-N
XLogP1.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.63
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,6S,7R)-bicyclo[4.1.0]hept-2-en-7-amine;hydrochloride?
The IUPAC name of (1R,6S,7R)-bicyclo[4.1.0]hept-2-en-7-amine;hydrochloride (CID 55283739) is (1R,6S,7R)-bicyclo[4.1.0]hept-2-en-7-amine;hydrochloride.
What is the SMILES notation for (1R,6S,7R)-bicyclo[4.1.0]hept-2-en-7-amine;hydrochloride?
The canonical SMILES for (1R,6S,7R)-bicyclo[4.1.0]hept-2-en-7-amine;hydrochloride is Cl.N[C@H]1[C@@H]2C=CCC[C@H]12.
What is the InChIKey of (1R,6S,7R)-bicyclo[4.1.0]hept-2-en-7-amine;hydrochloride?
The InChIKey is SEYSUNOQESDGBR-NLRFIBDTSA-N. The full InChI is InChI=1S/C7H11N.ClH/c8-7-5-3-1-2-4-6(5)7;/h1,3,5-7H,2,4,8H2;1H/t5-,6+,7+;/m1./s1.
What are the key properties of (1R,6S,7R)-bicyclo[4.1.0]hept-2-en-7-amine;hydrochloride?
(1R,6S,7R)-bicyclo[4.1.0]hept-2-en-7-amine;hydrochloride has a molecular weight of 145.63 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,7R)-bicyclo[4.1.0]hept-2-en-7-amine;hydrochloride is sourced from PubChem (CID 55283739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).