(5E,6Z)-5-ethylidene-7-propan-2-yl-3,4-dihydro-2H-azocine

C12H19N — CID 138487197

IUPAC(5E,6Z)-5-ethylidene-7-propan-2-yl-3,4-dihydro-2H-azocine
SMILESC/C=C1/C=C(C(C)C)\C=N/CCC1
InChIInChI=1S/C12H19N/c1-4-11-6-5-7-13-9-12(8-11)10(2)3/h4,8-10H,5-7H2,1-3H3/b11-4+,12-8+,13-9-
InChIKeyLOPQPYNVJAPIES-VRFFCXROSA-N
MW177.29 g/mol
LogP3.38
Rot. Bonds1

About (5E,6Z)-5-ethylidene-7-propan-2-yl-3,4-dihydro-2H-azocine

(5E,6Z)-5-ethylidene-7-propan-2-yl-3,4-dihydro-2H-azocine (PubChem CID 138487197) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (5E,6Z)-5-ethylidene-7-propan-2-yl-3,4-dihydro-2H-azocine.

Molecular Properties

Compound Name(5E,6Z)-5-ethylidene-7-propan-2-yl-3,4-dihydro-2H-azocine
PubChem CID138487197
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(5E,6Z)-5-ethylidene-7-propan-2-yl-3,4-dihydro-2H-azocine
SMILESC/C=C1/C=C(C(C)C)\C=N/CCC1
InChIInChI=1S/C12H19N/c1-4-11-6-5-7-13-9-12(8-11)10(2)3/h4,8-10H,5-7H2,1-3H3/b11-4+,12-8+,13-9-
InChIKeyLOPQPYNVJAPIES-VRFFCXROSA-N
XLogP3.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5E,6Z)-5-ethylidene-7-propan-2-yl-3,4-dihydro-2H-azocine 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 (5E,6Z)-5-ethylidene-7-propan-2-yl-3,4-dihydro-2H-azocine?
The IUPAC name of (5E,6Z)-5-ethylidene-7-propan-2-yl-3,4-dihydro-2H-azocine (CID 138487197) is (5E,6Z)-5-ethylidene-7-propan-2-yl-3,4-dihydro-2H-azocine.
What is the SMILES notation for (5E,6Z)-5-ethylidene-7-propan-2-yl-3,4-dihydro-2H-azocine?
The canonical SMILES for (5E,6Z)-5-ethylidene-7-propan-2-yl-3,4-dihydro-2H-azocine is C/C=C1/C=C(C(C)C)\C=N/CCC1.
What is the InChIKey of (5E,6Z)-5-ethylidene-7-propan-2-yl-3,4-dihydro-2H-azocine?
The InChIKey is LOPQPYNVJAPIES-VRFFCXROSA-N. The full InChI is InChI=1S/C12H19N/c1-4-11-6-5-7-13-9-12(8-11)10(2)3/h4,8-10H,5-7H2,1-3H3/b11-4+,12-8+,13-9-.
What are the key properties of (5E,6Z)-5-ethylidene-7-propan-2-yl-3,4-dihydro-2H-azocine?
(5E,6Z)-5-ethylidene-7-propan-2-yl-3,4-dihydro-2H-azocine has a molecular weight of 177.29 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6Z)-5-ethylidene-7-propan-2-yl-3,4-dihydro-2H-azocine is sourced from PubChem (CID 138487197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).