(2Z,3Z)-2-(1-ethoxypropylidene)-3-ethylidenepyridine

C12H17NO — CID 142189103

IUPAC(2Z,3Z)-2-(1-ethoxypropylidene)-3-ethylidenepyridine
SMILESC/C=c1/cccn/c1=C(/CC)OCC
InChIInChI=1S/C12H17NO/c1-4-10-8-7-9-13-12(10)11(5-2)14-6-3/h4,7-9H,5-6H2,1-3H3/b10-4-,12-11-
InChIKeyIXGCGVOOSZFOTL-LSHQYWQOSA-N
MW191.27 g/mol
LogP1.44
Rot. Bonds3

About (2Z,3Z)-2-(1-ethoxypropylidene)-3-ethylidenepyridine

(2Z,3Z)-2-(1-ethoxypropylidene)-3-ethylidenepyridine (PubChem CID 142189103) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2Z,3Z)-2-(1-ethoxypropylidene)-3-ethylidenepyridine.

Molecular Properties

Compound Name(2Z,3Z)-2-(1-ethoxypropylidene)-3-ethylidenepyridine
PubChem CID142189103
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2Z,3Z)-2-(1-ethoxypropylidene)-3-ethylidenepyridine
SMILESC/C=c1/cccn/c1=C(/CC)OCC
InChIInChI=1S/C12H17NO/c1-4-10-8-7-9-13-12(10)11(5-2)14-6-3/h4,7-9H,5-6H2,1-3H3/b10-4-,12-11-
InChIKeyIXGCGVOOSZFOTL-LSHQYWQOSA-N
XLogP1.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z,3Z)-3-ethylidene-2-(3-methylpent-3-en-2-ylidene)pyridine
CID 134386433
3-ethylidene-2-(2-methylbut-2-enylidene)pyridine
CID 90959337
ethane;methyl 2-[4-[(1Z)-1-[(3Z)-3-ethylidene-2-pyridinylidene]prop-2-enyl]-1,4-diazepan-1-yl]butanoate
CID 143987279
ethyl 3-aminopyridine-2-carboxylate
CID 565054
ethyl propanoate;pyrimidin-2-amine
CID 175262860
ethyl 2-(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ylidene)acetate
CID 19261490
2-but-1-en-2-ylpyrimidine
CID 23105128
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
ethyl 2-(3-methyl-2-pyridinyl)-2-oxoacetate
CID 53419388
ethyl 3-hydroxy-3-(3-methyl-2-pyridinyl)prop-2-enoate
CID 170923978
ethyl (E)-3-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-pyridinyl]prop-2-enoate
CID 102051602

Frequently Asked Questions

What is the IUPAC name of (2Z,3Z)-2-(1-ethoxypropylidene)-3-ethylidenepyridine?
The IUPAC name of (2Z,3Z)-2-(1-ethoxypropylidene)-3-ethylidenepyridine (CID 142189103) is (2Z,3Z)-2-(1-ethoxypropylidene)-3-ethylidenepyridine.
What is the SMILES notation for (2Z,3Z)-2-(1-ethoxypropylidene)-3-ethylidenepyridine?
The canonical SMILES for (2Z,3Z)-2-(1-ethoxypropylidene)-3-ethylidenepyridine is C/C=c1/cccn/c1=C(/CC)OCC.
What is the InChIKey of (2Z,3Z)-2-(1-ethoxypropylidene)-3-ethylidenepyridine?
The InChIKey is IXGCGVOOSZFOTL-LSHQYWQOSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-10-8-7-9-13-12(10)11(5-2)14-6-3/h4,7-9H,5-6H2,1-3H3/b10-4-,12-11-.
What are the key properties of (2Z,3Z)-2-(1-ethoxypropylidene)-3-ethylidenepyridine?
(2Z,3Z)-2-(1-ethoxypropylidene)-3-ethylidenepyridine has a molecular weight of 191.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z)-2-(1-ethoxypropylidene)-3-ethylidenepyridine is sourced from PubChem (CID 142189103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).