(5S,6R)-3-azabicyclo[4.1.0]hept-2-en-5-amine

C6H10N2 — CID 174033086

IUPAC(5S,6R)-3-azabicyclo[4.1.0]hept-2-en-5-amine
SMILESN[C@@H]1CN=CC2C[C@H]21
InChIInChI=1S/C6H10N2/c7-6-3-8-2-4-1-5(4)6/h2,4-6H,1,3,7H2/t4?,5-,6-/m1/s1
InChIKeyLORAXLNKRPBZKV-YSLANXFLSA-N
MW110.16 g/mol
LogP0.03
Rot. Bonds

About (5S,6R)-3-azabicyclo[4.1.0]hept-2-en-5-amine

(5S,6R)-3-azabicyclo[4.1.0]hept-2-en-5-amine (PubChem CID 174033086) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (5S,6R)-3-azabicyclo[4.1.0]hept-2-en-5-amine.

Molecular Properties

Compound Name(5S,6R)-3-azabicyclo[4.1.0]hept-2-en-5-amine
PubChem CID174033086
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(5S,6R)-3-azabicyclo[4.1.0]hept-2-en-5-amine
SMILESN[C@@H]1CN=CC2C[C@H]21
InChIInChI=1S/C6H10N2/c7-6-3-8-2-4-1-5(4)6/h2,4-6H,1,3,7H2/t4?,5-,6-/m1/s1
InChIKeyLORAXLNKRPBZKV-YSLANXFLSA-N
XLogP0.03
TPSA38.38 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 ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-3-azabicyclo[4.1.0]hept-2-en-5-amine?
The IUPAC name of (5S,6R)-3-azabicyclo[4.1.0]hept-2-en-5-amine (CID 174033086) is (5S,6R)-3-azabicyclo[4.1.0]hept-2-en-5-amine.
What is the SMILES notation for (5S,6R)-3-azabicyclo[4.1.0]hept-2-en-5-amine?
The canonical SMILES for (5S,6R)-3-azabicyclo[4.1.0]hept-2-en-5-amine is N[C@@H]1CN=CC2C[C@H]21.
What is the InChIKey of (5S,6R)-3-azabicyclo[4.1.0]hept-2-en-5-amine?
The InChIKey is LORAXLNKRPBZKV-YSLANXFLSA-N. The full InChI is InChI=1S/C6H10N2/c7-6-3-8-2-4-1-5(4)6/h2,4-6H,1,3,7H2/t4?,5-,6-/m1/s1.
What are the key properties of (5S,6R)-3-azabicyclo[4.1.0]hept-2-en-5-amine?
(5S,6R)-3-azabicyclo[4.1.0]hept-2-en-5-amine has a molecular weight of 110.16 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-3-azabicyclo[4.1.0]hept-2-en-5-amine is sourced from PubChem (CID 174033086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).