(5Z,8S)-1-azabicyclo[6.5.0]tridec-5-ene

C12H21N — CID 102449509

IUPAC(5Z,8S)-1-azabicyclo[6.5.0]tridec-5-ene
SMILESC1=C\C[C@@H]2CCCCCN2CCC/1
InChIInChI=1S/C12H21N/c1-2-6-10-13-11-7-3-5-9-12(13)8-4-1/h1,4,12H,2-3,5-11H2/b4-1-/t12-/m1/s1
InChIKeyIHLUGXPCIRIPEM-VCUZLRKMSA-N
MW179.31 g/mol
LogP2.97
Rot. Bonds

About (5Z,8S)-1-azabicyclo[6.5.0]tridec-5-ene

(5Z,8S)-1-azabicyclo[6.5.0]tridec-5-ene (PubChem CID 102449509) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (5Z,8S)-1-azabicyclo[6.5.0]tridec-5-ene.

Molecular Properties

Compound Name(5Z,8S)-1-azabicyclo[6.5.0]tridec-5-ene
PubChem CID102449509
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(5Z,8S)-1-azabicyclo[6.5.0]tridec-5-ene
SMILESC1=C\C[C@@H]2CCCCCN2CCC/1
InChIInChI=1S/C12H21N/c1-2-6-10-13-11-7-3-5-9-12(13)8-4-1/h1,4,12H,2-3,5-11H2/b4-1-/t12-/m1/s1
InChIKeyIHLUGXPCIRIPEM-VCUZLRKMSA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5Z,8S)-1-azabicyclo[6.5.0]tridec-5-ene 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 (5Z,8S)-1-azabicyclo[6.5.0]tridec-5-ene?
The IUPAC name of (5Z,8S)-1-azabicyclo[6.5.0]tridec-5-ene (CID 102449509) is (5Z,8S)-1-azabicyclo[6.5.0]tridec-5-ene.
What is the SMILES notation for (5Z,8S)-1-azabicyclo[6.5.0]tridec-5-ene?
The canonical SMILES for (5Z,8S)-1-azabicyclo[6.5.0]tridec-5-ene is C1=C\C[C@@H]2CCCCCN2CCC/1.
What is the InChIKey of (5Z,8S)-1-azabicyclo[6.5.0]tridec-5-ene?
The InChIKey is IHLUGXPCIRIPEM-VCUZLRKMSA-N. The full InChI is InChI=1S/C12H21N/c1-2-6-10-13-11-7-3-5-9-12(13)8-4-1/h1,4,12H,2-3,5-11H2/b4-1-/t12-/m1/s1.
What are the key properties of (5Z,8S)-1-azabicyclo[6.5.0]tridec-5-ene?
(5Z,8S)-1-azabicyclo[6.5.0]tridec-5-ene has a molecular weight of 179.31 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8S)-1-azabicyclo[6.5.0]tridec-5-ene is sourced from PubChem (CID 102449509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).