3-bromo-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-4-phenylmethoxypyridin-2-one

C20H20BrNO2 — CID 143008418

IUPAC3-bromo-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-4-phenylmethoxypyridin-2-one
SMILESC=C(/C=C\C=C/C)Cn1ccc(OCc2ccccc2)c(Br)c1=O
InChIInChI=1S/C20H20BrNO2/c1-3-4-6-9-16(2)14-22-13-12-18(19(21)20(22)23)24-15-17-10-7-5-8-11-17/h3-13H,2,14-15H2,1H3/b4-3-,9-6-
InChIKeyHBMWFCDJSRPUHM-UBCGXMOYSA-N
MW386.29 g/mol
LogP4.88
Rot. Bonds7

About 3-bromo-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-4-phenylmethoxypyridin-2-one

3-bromo-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-4-phenylmethoxypyridin-2-one (PubChem CID 143008418) has the molecular formula C20H20BrNO2 and a molecular weight of 386.29 g/mol. Its IUPAC name is 3-bromo-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-4-phenylmethoxypyridin-2-one
PubChem CID143008418
Molecular FormulaC20H20BrNO2
Molecular Weight386.29 g/mol
Exact Mass385.07
IUPAC Name3-bromo-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-4-phenylmethoxypyridin-2-one
SMILESC=C(/C=C\C=C/C)Cn1ccc(OCc2ccccc2)c(Br)c1=O
InChIInChI=1S/C20H20BrNO2/c1-3-4-6-9-16(2)14-22-13-12-18(19(21)20(22)23)24-15-17-10-7-5-8-11-17/h3-13H,2,14-15H2,1H3/b4-3-,9-6-
InChIKeyHBMWFCDJSRPUHM-UBCGXMOYSA-N
XLogP4.88
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyridin-2-one
CID 10287295
2-[4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]phenyl]acetic acid
CID 11441746
ethane;ethyl 3-(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)propanoate
CID 143008403
4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]-N'-hydroxybenzenecarboximidamide
CID 10151181
1-benzyl-3-bromo-4-[(2-chlorophenyl)methoxy]pyridin-2-one
CID 10173044
3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(4-phenylphenyl)methyl]pyridin-2-one
CID 11476791
3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(2-phenylphenyl)methyl]pyridin-2-one
CID 11202094
1-(2-oxopropyl)-3-phenylmethoxypyridin-2-one
CID 135225818
3-bromo-1-[(3-fluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyridin-2-one
CID 10287556
3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one
CID 169449042
3-bromo-1-[(3-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridin-2-one
CID 11224847
1,3-dimethyl-4-phenylmethoxypyridin-2-one;ethane
CID 156637776

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 3-bromo-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-4-phenylmethoxypyridin-2-one (CID 143008418) is 3-bromo-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 3-bromo-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 3-bromo-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-4-phenylmethoxypyridin-2-one is C=C(/C=C\C=C/C)Cn1ccc(OCc2ccccc2)c(Br)c1=O.
What is the InChIKey of 3-bromo-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is HBMWFCDJSRPUHM-UBCGXMOYSA-N. The full InChI is InChI=1S/C20H20BrNO2/c1-3-4-6-9-16(2)14-22-13-12-18(19(21)20(22)23)24-15-17-10-7-5-8-11-17/h3-13H,2,14-15H2,1H3/b4-3-,9-6-.
What are the key properties of 3-bromo-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-4-phenylmethoxypyridin-2-one?
3-bromo-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 386.29 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 143008418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).