1-[2-(3-cyclopropyloxy-4-methoxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one

C19H21NO3 — CID 155339298

IUPAC1-[2-(3-cyclopropyloxy-4-methoxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one
SMILESCOc1ccc(C=Cn2c(C)cc(=O)cc2C)cc1OC1CC1
InChIInChI=1S/C19H21NO3/c1-13-10-16(21)11-14(2)20(13)9-8-15-4-7-18(22-3)19(12-15)23-17-5-6-17/h4,7-12,17H,5-6H2,1-3H3
InChIKeyKWEAWRKKPUPNMT-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.64
Rot. Bonds5

About 1-[2-(3-cyclopropyloxy-4-methoxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one

1-[2-(3-cyclopropyloxy-4-methoxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one (PubChem CID 155339298) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-[2-(3-cyclopropyloxy-4-methoxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-[2-(3-cyclopropyloxy-4-methoxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one
PubChem CID155339298
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name1-[2-(3-cyclopropyloxy-4-methoxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one
SMILESCOc1ccc(C=Cn2c(C)cc(=O)cc2C)cc1OC1CC1
InChIInChI=1S/C19H21NO3/c1-13-10-16(21)11-14(2)20(13)9-8-15-4-7-18(22-3)19(12-15)23-17-5-6-17/h4,7-12,17H,5-6H2,1-3H3
InChIKeyKWEAWRKKPUPNMT-UHFFFAOYSA-N
XLogP3.64
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-(1,1-dioxothiolan-3-yl)oxy-4-methoxyphenyl]ethenyl]-2,6-dimethylpyridin-4-one
CID 155339260
1-[(E)-2-(4-methoxy-3-propan-2-yloxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one
CID 152503198
[5-[(E)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)ethenyl]-2-methoxyphenyl] cyclopropanecarboxylate;1-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one
CID 158523923
1-[2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one
CID 175391390
[5-[(E)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)ethenyl]-2-methoxyphenyl] methanesulfonate;1-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one
CID 158603990
1-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one;1-[(E)-2-[4-methoxy-3-(methylsulfanylmethoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one
CID 161399275
1-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one
CID 153354113
2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene
CID 89146119
(NZ)-N-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enylidene]hydroxylamine
CID 10106724
4-methoxy-3-[(3R)-oxolan-3-yl]oxybenzaldehyde
CID 54175149
(E)-3-(4-cyclobutyloxy-3-methoxyphenyl)prop-2-enoic acid
CID 138464982
1-[(E)-2-[4-(difluoromethoxy)-3-(2-methylsulfanylethoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one
CID 153354124

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclopropyloxy-4-methoxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-[2-(3-cyclopropyloxy-4-methoxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one (CID 155339298) is 1-[2-(3-cyclopropyloxy-4-methoxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-[2-(3-cyclopropyloxy-4-methoxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-[2-(3-cyclopropyloxy-4-methoxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one is COc1ccc(C=Cn2c(C)cc(=O)cc2C)cc1OC1CC1.
What is the InChIKey of 1-[2-(3-cyclopropyloxy-4-methoxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one?
The InChIKey is KWEAWRKKPUPNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13-10-16(21)11-14(2)20(13)9-8-15-4-7-18(22-3)19(12-15)23-17-5-6-17/h4,7-12,17H,5-6H2,1-3H3.
What are the key properties of 1-[2-(3-cyclopropyloxy-4-methoxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one?
1-[2-(3-cyclopropyloxy-4-methoxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one has a molecular weight of 311.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-cyclopropyloxy-4-methoxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 155339298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).