(4Z,5E)-4,5-di(ethylidene)-2,3-dihydropyridine;ethane

C11H19N — CID 143531525

IUPAC(4Z,5E)-4,5-di(ethylidene)-2,3-dihydropyridine;ethane
SMILESC/C=C1/CCN=C/C1=C/C.CC
InChIInChI=1S/C9H13N.C2H6/c1-3-8-5-6-10-7-9(8)4-2;1-2/h3-4,7H,5-6H2,1-2H3;1-2H3/b8-3-,9-4-;
InChIKeyJQNQBZMIXBDJKR-FLHNYSSYSA-N
MW165.28 g/mol
LogP3.38
Rot. Bonds

About (4Z,5E)-4,5-di(ethylidene)-2,3-dihydropyridine;ethane

(4Z,5E)-4,5-di(ethylidene)-2,3-dihydropyridine;ethane (PubChem CID 143531525) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (4Z,5E)-4,5-di(ethylidene)-2,3-dihydropyridine;ethane.

Molecular Properties

Compound Name(4Z,5E)-4,5-di(ethylidene)-2,3-dihydropyridine;ethane
PubChem CID143531525
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(4Z,5E)-4,5-di(ethylidene)-2,3-dihydropyridine;ethane
SMILESC/C=C1/CCN=C/C1=C/C.CC
InChIInChI=1S/C9H13N.C2H6/c1-3-8-5-6-10-7-9(8)4-2;1-2/h3-4,7H,5-6H2,1-2H3;1-2H3/b8-3-,9-4-;
InChIKeyJQNQBZMIXBDJKR-FLHNYSSYSA-N
XLogP3.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4Z,5E)-4,5-di(ethylidene)-2,3-dihydropyridine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
4-(2,3-Dihydropyridin-4-yl)-2,3-dihydropyridine
CID 89219434
N-(6-fluoro-4-methylideneocta-5,7-dienyl)ethanimine
CID 123683732
ethane;N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine
CID 142546380
2-fluoro-N-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)but-2-en-1-imine
CID 173596066
(6Z)-5-ethylidene-4-fluoro-6-methyl-7-propan-2-yl-3,4-dihydro-2H-azocine
CID 174137830
(E)-N-cyclohexyl-2-ethylbut-2-en-1-imine
CID 127262357
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
(S,e)-5-(2-methylbutylidene)-2,3,4,5-tetrahydropyridine
CID 129849200
CID 164673418
CID 164673418
N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine
CID 142546381
N-cyclohexyl-1-cyclopenta-1,3-dien-1-ylmethanimine
CID 18293350

Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-4,5-di(ethylidene)-2,3-dihydropyridine;ethane?
The IUPAC name of (4Z,5E)-4,5-di(ethylidene)-2,3-dihydropyridine;ethane (CID 143531525) is (4Z,5E)-4,5-di(ethylidene)-2,3-dihydropyridine;ethane.
What is the SMILES notation for (4Z,5E)-4,5-di(ethylidene)-2,3-dihydropyridine;ethane?
The canonical SMILES for (4Z,5E)-4,5-di(ethylidene)-2,3-dihydropyridine;ethane is C/C=C1/CCN=C/C1=C/C.CC.
What is the InChIKey of (4Z,5E)-4,5-di(ethylidene)-2,3-dihydropyridine;ethane?
The InChIKey is JQNQBZMIXBDJKR-FLHNYSSYSA-N. The full InChI is InChI=1S/C9H13N.C2H6/c1-3-8-5-6-10-7-9(8)4-2;1-2/h3-4,7H,5-6H2,1-2H3;1-2H3/b8-3-,9-4-;.
What are the key properties of (4Z,5E)-4,5-di(ethylidene)-2,3-dihydropyridine;ethane?
(4Z,5E)-4,5-di(ethylidene)-2,3-dihydropyridine;ethane has a molecular weight of 165.28 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-4,5-di(ethylidene)-2,3-dihydropyridine;ethane is sourced from PubChem (CID 143531525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).