(7S)-7-methyl-1-azabicyclo[5.1.0]oct-2-ene

C8H13N — CID 149226369

IUPAC(7S)-7-methyl-1-azabicyclo[5.1.0]oct-2-ene
SMILESC[C@@]12CCCC=CN1C2
InChIInChI=1S/C8H13N/c1-8-5-3-2-4-6-9(8)7-8/h4,6H,2-3,5,7H2,1H3/t8-,9?/m0/s1
InChIKeyXJLAEVMWXPZTQP-IENPIDJESA-N
MW123.20 g/mol
LogP1.76
Rot. Bonds

About (7S)-7-methyl-1-azabicyclo[5.1.0]oct-2-ene

(7S)-7-methyl-1-azabicyclo[5.1.0]oct-2-ene (PubChem CID 149226369) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (7S)-7-methyl-1-azabicyclo[5.1.0]oct-2-ene.

Molecular Properties

Compound Name(7S)-7-methyl-1-azabicyclo[5.1.0]oct-2-ene
PubChem CID149226369
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(7S)-7-methyl-1-azabicyclo[5.1.0]oct-2-ene
SMILESC[C@@]12CCCC=CN1C2
InChIInChI=1S/C8H13N/c1-8-5-3-2-4-6-9(8)7-8/h4,6H,2-3,5,7H2,1H3/t8-,9?/m0/s1
InChIKeyXJLAEVMWXPZTQP-IENPIDJESA-N
XLogP1.76
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-methyl-1-azabicyclo[5.1.0]oct-2-ene?
The IUPAC name of (7S)-7-methyl-1-azabicyclo[5.1.0]oct-2-ene (CID 149226369) is (7S)-7-methyl-1-azabicyclo[5.1.0]oct-2-ene.
What is the SMILES notation for (7S)-7-methyl-1-azabicyclo[5.1.0]oct-2-ene?
The canonical SMILES for (7S)-7-methyl-1-azabicyclo[5.1.0]oct-2-ene is C[C@@]12CCCC=CN1C2.
What is the InChIKey of (7S)-7-methyl-1-azabicyclo[5.1.0]oct-2-ene?
The InChIKey is XJLAEVMWXPZTQP-IENPIDJESA-N. The full InChI is InChI=1S/C8H13N/c1-8-5-3-2-4-6-9(8)7-8/h4,6H,2-3,5,7H2,1H3/t8-,9?/m0/s1.
What are the key properties of (7S)-7-methyl-1-azabicyclo[5.1.0]oct-2-ene?
(7S)-7-methyl-1-azabicyclo[5.1.0]oct-2-ene has a molecular weight of 123.20 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-methyl-1-azabicyclo[5.1.0]oct-2-ene is sourced from PubChem (CID 149226369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).