(2E,4Z)-2,3-dimethyl-4-pyridin-4-ylhexa-2,4-dienal

C13H15NO — CID 142878844

IUPAC(2E,4Z)-2,3-dimethyl-4-pyridin-4-ylhexa-2,4-dienal
SMILESC/C=C(C(\C)=C(/C)C=O)/c1ccncc1
InChIInChI=1S/C13H15NO/c1-4-13(11(3)10(2)9-15)12-5-7-14-8-6-12/h4-9H,1-3H3/b11-10+,13-4+
InChIKeyHUXXBNVQCADRNP-ABDBBEBTSA-N
MW201.27 g/mol
LogP3.02
Rot. Bonds3

About (2E,4Z)-2,3-dimethyl-4-pyridin-4-ylhexa-2,4-dienal

(2E,4Z)-2,3-dimethyl-4-pyridin-4-ylhexa-2,4-dienal (PubChem CID 142878844) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (2E,4Z)-2,3-dimethyl-4-pyridin-4-ylhexa-2,4-dienal.

Molecular Properties

Compound Name(2E,4Z)-2,3-dimethyl-4-pyridin-4-ylhexa-2,4-dienal
PubChem CID142878844
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(2E,4Z)-2,3-dimethyl-4-pyridin-4-ylhexa-2,4-dienal
SMILESC/C=C(C(\C)=C(/C)C=O)/c1ccncc1
InChIInChI=1S/C13H15NO/c1-4-13(11(3)10(2)9-15)12-5-7-14-8-6-12/h4-9H,1-3H3/b11-10+,13-4+
InChIKeyHUXXBNVQCADRNP-ABDBBEBTSA-N
XLogP3.02
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-pyridin-4-ylbut-2-enal
CID 130702758
1-pyridin-4-ylbut-2-en-1-one
CID 86070863
N-[(Z)-prop-1-enyl]-1-pyridin-4-ylethanimine
CID 91982748
2-pyridin-4-ylprop-1-en-1-ol
CID 136628397
propan-2-one;pyridine-4-carboxamide
CID 174689468
butane;1-pyridin-4-ylethanone
CID 174655632
formic acid;4-methylpyridine
CID 162172361
N-oxido-N-(1-pyridin-4-ylethylideneamino)formamide
CID 86152246
(3E,5Z)-2,3-dimethyl-4-propyl-5-pyridin-4-ylhepta-3,5-dien-1-amine
CID 142603276
1-(dimethylamino)-4-methyl-2-pyridin-4-ylpent-1-en-3-one
CID 54421976
4-[(3Z)-penta-1,3-dien-2-yl]pyridine
CID 118479579
formyl pyridine-4-carboxylate
CID 54232174

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2,3-dimethyl-4-pyridin-4-ylhexa-2,4-dienal?
The IUPAC name of (2E,4Z)-2,3-dimethyl-4-pyridin-4-ylhexa-2,4-dienal (CID 142878844) is (2E,4Z)-2,3-dimethyl-4-pyridin-4-ylhexa-2,4-dienal.
What is the SMILES notation for (2E,4Z)-2,3-dimethyl-4-pyridin-4-ylhexa-2,4-dienal?
The canonical SMILES for (2E,4Z)-2,3-dimethyl-4-pyridin-4-ylhexa-2,4-dienal is C/C=C(C(\C)=C(/C)C=O)/c1ccncc1.
What is the InChIKey of (2E,4Z)-2,3-dimethyl-4-pyridin-4-ylhexa-2,4-dienal?
The InChIKey is HUXXBNVQCADRNP-ABDBBEBTSA-N. The full InChI is InChI=1S/C13H15NO/c1-4-13(11(3)10(2)9-15)12-5-7-14-8-6-12/h4-9H,1-3H3/b11-10+,13-4+.
What are the key properties of (2E,4Z)-2,3-dimethyl-4-pyridin-4-ylhexa-2,4-dienal?
(2E,4Z)-2,3-dimethyl-4-pyridin-4-ylhexa-2,4-dienal has a molecular weight of 201.27 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2,3-dimethyl-4-pyridin-4-ylhexa-2,4-dienal is sourced from PubChem (CID 142878844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).