(3E)-3-ethenyl-1-(5-methyl-2-pyridinyl)hexa-3,5-dien-2-ol

C14H17NO — CID 144927481

IUPAC(3E)-3-ethenyl-1-(5-methyl-2-pyridinyl)hexa-3,5-dien-2-ol
SMILESC=C/C=C(\C=C)C(O)Cc1ccc(C)cn1
InChIInChI=1S/C14H17NO/c1-4-6-12(5-2)14(16)9-13-8-7-11(3)10-15-13/h4-8,10,14,16H,1-2,9H2,3H3/b12-6+
InChIKeyKSXBQRBQRUJCCS-WUXMJOGZSA-N
MW215.30 g/mol
LogP2.59
Rot. Bonds5

About (3E)-3-ethenyl-1-(5-methyl-2-pyridinyl)hexa-3,5-dien-2-ol

(3E)-3-ethenyl-1-(5-methyl-2-pyridinyl)hexa-3,5-dien-2-ol (PubChem CID 144927481) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (3E)-3-ethenyl-1-(5-methyl-2-pyridinyl)hexa-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E)-3-ethenyl-1-(5-methyl-2-pyridinyl)hexa-3,5-dien-2-ol
PubChem CID144927481
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(3E)-3-ethenyl-1-(5-methyl-2-pyridinyl)hexa-3,5-dien-2-ol
SMILESC=C/C=C(\C=C)C(O)Cc1ccc(C)cn1
InChIInChI=1S/C14H17NO/c1-4-6-12(5-2)14(16)9-13-8-7-11(3)10-15-13/h4-8,10,14,16H,1-2,9H2,3H3/b12-6+
InChIKeyKSXBQRBQRUJCCS-WUXMJOGZSA-N
XLogP2.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E)-3-ethenyl-1-(5-methyl-2-pyridinyl)hexa-3,5-dien-2-ol with MolForge

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Launch Full Analysis

Related Compounds

ethane;(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol;methane
CID 144927453
1-amino-3-(5-methyl-2-pyridinyl)propan-2-ol
CID 83442584
3,3-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-ol
CID 66459924
1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-ol
CID 66460328
1,1-dicyclopropyl-3-(5-methyl-2-pyridinyl)propan-2-ol
CID 112745195
2-[(3E)-3-ethenyl-2-methylhexa-3,5-dienyl]-5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]pyridine
CID 144927518
1-(5-methyl-2-pyridinyl)-4-phenylbutan-2-ol
CID 66458905
5-methyl-2-[(2S)-2-methylbutyl]pyridine
CID 118944951
ethane;2-[(3E)-hexa-1,3,5-trien-3-yl]-5-methylpyridine
CID 142353727
1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 66460323
(5-methyl-2-pyridinyl)methanolate
CID 153447855
5-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]pyridine
CID 86125862

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethenyl-1-(5-methyl-2-pyridinyl)hexa-3,5-dien-2-ol?
The IUPAC name of (3E)-3-ethenyl-1-(5-methyl-2-pyridinyl)hexa-3,5-dien-2-ol (CID 144927481) is (3E)-3-ethenyl-1-(5-methyl-2-pyridinyl)hexa-3,5-dien-2-ol.
What is the SMILES notation for (3E)-3-ethenyl-1-(5-methyl-2-pyridinyl)hexa-3,5-dien-2-ol?
The canonical SMILES for (3E)-3-ethenyl-1-(5-methyl-2-pyridinyl)hexa-3,5-dien-2-ol is C=C/C=C(\C=C)C(O)Cc1ccc(C)cn1.
What is the InChIKey of (3E)-3-ethenyl-1-(5-methyl-2-pyridinyl)hexa-3,5-dien-2-ol?
The InChIKey is KSXBQRBQRUJCCS-WUXMJOGZSA-N. The full InChI is InChI=1S/C14H17NO/c1-4-6-12(5-2)14(16)9-13-8-7-11(3)10-15-13/h4-8,10,14,16H,1-2,9H2,3H3/b12-6+.
What are the key properties of (3E)-3-ethenyl-1-(5-methyl-2-pyridinyl)hexa-3,5-dien-2-ol?
(3E)-3-ethenyl-1-(5-methyl-2-pyridinyl)hexa-3,5-dien-2-ol has a molecular weight of 215.30 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethenyl-1-(5-methyl-2-pyridinyl)hexa-3,5-dien-2-ol is sourced from PubChem (CID 144927481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).