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

C18H19NO3 — CID 5339151

IUPAC3-[(E)-3-(2-methoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCOc1ccccc1/C=C(\C)C(=O)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C18H19NO3/c1-11-9-13(3)19-18(21)16(11)17(20)12(2)10-14-7-5-6-8-15(14)22-4/h5-10H,1-4H3,(H,19,21)/b12-10+
InChIKeyKRWOBNOVFYQQEE-ZRDIBKRKSA-N
MW297.35 g/mol
LogP3.29
Rot. Bonds4

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

3-[(E)-3-(2-methoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 5339151) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-[(E)-3-(2-methoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(E)-3-(2-methoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID5339151
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name3-[(E)-3-(2-methoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCOc1ccccc1/C=C(\C)C(=O)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C18H19NO3/c1-11-9-13(3)19-18(21)16(11)17(20)12(2)10-14-7-5-6-8-15(14)22-4/h5-10H,1-4H3,(H,19,21)/b12-10+
InChIKeyKRWOBNOVFYQQEE-ZRDIBKRKSA-N
XLogP3.29
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[(E)-3-(2-methoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one (CID 5339151) is 3-[(E)-3-(2-methoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(E)-3-(2-methoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[(E)-3-(2-methoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one is COc1ccccc1/C=C(\C)C(=O)c1c(C)cc(C)[nH]c1=O.
What is the InChIKey of 3-[(E)-3-(2-methoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is KRWOBNOVFYQQEE-ZRDIBKRKSA-N. The full InChI is InChI=1S/C18H19NO3/c1-11-9-13(3)19-18(21)16(11)17(20)12(2)10-14-7-5-6-8-15(14)22-4/h5-10H,1-4H3,(H,19,21)/b12-10+.
What are the key properties of 3-[(E)-3-(2-methoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one?
3-[(E)-3-(2-methoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 297.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(2-methoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 5339151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).