(3E,4Z)-4-(2-chloroprop-2-enylidene)-3-ethylidene-2-methylpyridine

C11H12ClN — CID 123946891

IUPAC(3E,4Z)-4-(2-chloroprop-2-enylidene)-3-ethylidene-2-methylpyridine
SMILESC=C(Cl)/C=c1/ccnc(C)/c1=C/C
InChIInChI=1S/C11H12ClN/c1-4-11-9(3)13-6-5-10(11)7-8(2)12/h4-7H,2H2,1,3H3/b10-7-,11-4+
InChIKeyWHUZABJVTVDKQB-JXNHZPGASA-N
MW193.68 g/mol
LogP1.72
Rot. Bonds1

About (3E,4Z)-4-(2-chloroprop-2-enylidene)-3-ethylidene-2-methylpyridine

(3E,4Z)-4-(2-chloroprop-2-enylidene)-3-ethylidene-2-methylpyridine (PubChem CID 123946891) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is (3E,4Z)-4-(2-chloroprop-2-enylidene)-3-ethylidene-2-methylpyridine.

Molecular Properties

Compound Name(3E,4Z)-4-(2-chloroprop-2-enylidene)-3-ethylidene-2-methylpyridine
PubChem CID123946891
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name(3E,4Z)-4-(2-chloroprop-2-enylidene)-3-ethylidene-2-methylpyridine
SMILESC=C(Cl)/C=c1/ccnc(C)/c1=C/C
InChIInChI=1S/C11H12ClN/c1-4-11-9(3)13-6-5-10(11)7-8(2)12/h4-7H,2H2,1,3H3/b10-7-,11-4+
InChIKeyWHUZABJVTVDKQB-JXNHZPGASA-N
XLogP1.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine
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N-[(E)-2-chloroprop-1-enyl]-4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine
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2,5-dimethyl-3H-azepine
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7-Chloroquinolin-4-ylzinc iodide, 0.25 M in THF
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4h-Indenopyridine
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(Z)-N-[(E)-but-1-enyl]-3-[(E)-1-fluoroprop-1-enyl]-4-methylhept-3-en-2-imine
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3-methyl-5H-indole
CID 20712166
7H-indole
CID 22406159

Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-4-(2-chloroprop-2-enylidene)-3-ethylidene-2-methylpyridine?
The IUPAC name of (3E,4Z)-4-(2-chloroprop-2-enylidene)-3-ethylidene-2-methylpyridine (CID 123946891) is (3E,4Z)-4-(2-chloroprop-2-enylidene)-3-ethylidene-2-methylpyridine.
What is the SMILES notation for (3E,4Z)-4-(2-chloroprop-2-enylidene)-3-ethylidene-2-methylpyridine?
The canonical SMILES for (3E,4Z)-4-(2-chloroprop-2-enylidene)-3-ethylidene-2-methylpyridine is C=C(Cl)/C=c1/ccnc(C)/c1=C/C.
What is the InChIKey of (3E,4Z)-4-(2-chloroprop-2-enylidene)-3-ethylidene-2-methylpyridine?
The InChIKey is WHUZABJVTVDKQB-JXNHZPGASA-N. The full InChI is InChI=1S/C11H12ClN/c1-4-11-9(3)13-6-5-10(11)7-8(2)12/h4-7H,2H2,1,3H3/b10-7-,11-4+.
What are the key properties of (3E,4Z)-4-(2-chloroprop-2-enylidene)-3-ethylidene-2-methylpyridine?
(3E,4Z)-4-(2-chloroprop-2-enylidene)-3-ethylidene-2-methylpyridine has a molecular weight of 193.68 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-4-(2-chloroprop-2-enylidene)-3-ethylidene-2-methylpyridine is sourced from PubChem (CID 123946891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).