3-[(E)-3-(2,3-dimethoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one

C19H21NO4 — CID 19617286

IUPAC3-[(E)-3-(2,3-dimethoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCOc1cccc(/C=C(\C)C(=O)c2c(C)cc(C)[nH]c2=O)c1OC
InChIInChI=1S/C19H21NO4/c1-11-9-13(3)20-19(22)16(11)17(21)12(2)10-14-7-6-8-15(23-4)18(14)24-5/h6-10H,1-5H3,(H,20,22)/b12-10+
InChIKeyFGGAVQHQJCHQIE-ZRDIBKRKSA-N
MW327.38 g/mol
LogP3.30
Rot. Bonds5

About 3-[(E)-3-(2,3-dimethoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one

3-[(E)-3-(2,3-dimethoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 19617286) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[(E)-3-(2,3-dimethoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(E)-3-(2,3-dimethoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID19617286
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name3-[(E)-3-(2,3-dimethoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCOc1cccc(/C=C(\C)C(=O)c2c(C)cc(C)[nH]c2=O)c1OC
InChIInChI=1S/C19H21NO4/c1-11-9-13(3)20-19(22)16(11)17(21)12(2)10-14-7-6-8-15(23-4)18(14)24-5/h6-10H,1-5H3,(H,20,22)/b12-10+
InChIKeyFGGAVQHQJCHQIE-ZRDIBKRKSA-N
XLogP3.30
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(2,3-dimethoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[(E)-3-(2,3-dimethoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one (CID 19617286) is 3-[(E)-3-(2,3-dimethoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(E)-3-(2,3-dimethoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[(E)-3-(2,3-dimethoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one is COc1cccc(/C=C(\C)C(=O)c2c(C)cc(C)[nH]c2=O)c1OC.
What is the InChIKey of 3-[(E)-3-(2,3-dimethoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is FGGAVQHQJCHQIE-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H21NO4/c1-11-9-13(3)20-19(22)16(11)17(21)12(2)10-14-7-6-8-15(23-4)18(14)24-5/h6-10H,1-5H3,(H,20,22)/b12-10+.
What are the key properties of 3-[(E)-3-(2,3-dimethoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one?
3-[(E)-3-(2,3-dimethoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 327.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(2,3-dimethoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 19617286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).