(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-one

C19H17NO — CID 144927496

IUPAC(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-one
SMILESC=C/C=C(\C=C)C(=O)Cc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C19H17NO/c1-3-8-15(4-2)19(21)13-18-12-11-17(14-20-18)16-9-6-5-7-10-16/h3-12,14H,1-2,13H2/b15-8+
InChIKeyRLJIDUGTHRCDME-OVCLIPMQSA-N
MW275.35 g/mol
LogP4.16
Rot. Bonds6

About (3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-one

(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-one (PubChem CID 144927496) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is (3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-one.

Molecular Properties

Compound Name(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-one
PubChem CID144927496
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-one
SMILESC=C/C=C(\C=C)C(=O)Cc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C19H17NO/c1-3-8-15(4-2)19(21)13-18-12-11-17(14-20-18)16-9-6-5-7-10-16/h3-12,14H,1-2,13H2/b15-8+
InChIKeyRLJIDUGTHRCDME-OVCLIPMQSA-N
XLogP4.16
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-amino-3-ethenyl-1-(5-phenyl-2-pyridinyl)pent-3-en-2-one
CID 144927456
ethane;(3E)-3-ethenyl-2-methyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol
CID 144927499
ethane;(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol;methane
CID 144927453
(2R,3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)-2-(tetrazol-1-ylmethyl)hexa-3,5-dien-2-ol
CID 139469189
2-methyl-1-(5-phenyl-2-pyridinyl)propan-2-ol
CID 115009058
(5E)-5-ethenylocta-1,5,7-trien-4-one
CID 90463748
(3E)-1-[3,6-ditert-butyl-2-(2-phenylprop-2-enyl)phenyl]-3-ethenylhexa-3,5-dien-2-one
CID 144852951
ethane;ethene;(E)-3-ethenyl-2-[(5-phenyl-2-pyridinyl)methyl]pent-3-enenitrile
CID 144927624
1-phenyl-2-(5-phenyl-2-pyridinyl)ethanol
CID 144927462
[2-methylpropanoyloxymethoxy-[(5-phenyl-2-pyridinyl)methyl]phosphanyl]oxymethyl 2-methylpropanoate
CID 123740473
5-bromo-2-methylpyridine;ethyl 2-(5-phenyl-2-pyridinyl)acetate;2-methyl-5-phenylpyridine
CID 159251873
N-[(3Z,5E)-4,5-bis(ethenyl)octa-1,3,5,7-tetraen-3-yl]-4-phenylaniline
CID 142541124

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-one?
The IUPAC name of (3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-one (CID 144927496) is (3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-one.
What is the SMILES notation for (3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-one?
The canonical SMILES for (3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-one is C=C/C=C(\C=C)C(=O)Cc1ccc(-c2ccccc2)cn1.
What is the InChIKey of (3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-one?
The InChIKey is RLJIDUGTHRCDME-OVCLIPMQSA-N. The full InChI is InChI=1S/C19H17NO/c1-3-8-15(4-2)19(21)13-18-12-11-17(14-20-18)16-9-6-5-7-10-16/h3-12,14H,1-2,13H2/b15-8+.
What are the key properties of (3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-one?
(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-one has a molecular weight of 275.35 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-one is sourced from PubChem (CID 144927496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).