1,4,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one

C18H19NO2 — CID 58710159

IUPAC1,4,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one
SMILESCc1cccc(/C=C/C(=O)c2c(C)cc(C)n(C)c2=O)c1
InChIInChI=1S/C18H19NO2/c1-12-6-5-7-15(10-12)8-9-16(20)17-13(2)11-14(3)19(4)18(17)21/h5-11H,1-4H3/b9-8+
InChIKeyFEMZTPMYZOHGAW-CMDGGOBGSA-N
MW281.36 g/mol
LogP3.21
Rot. Bonds3

About 1,4,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one

1,4,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one (PubChem CID 58710159) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1,4,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one.

Molecular Properties

Compound Name1,4,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one
PubChem CID58710159
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1,4,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one
SMILESCc1cccc(/C=C/C(=O)c2c(C)cc(C)n(C)c2=O)c1
InChIInChI=1S/C18H19NO2/c1-12-6-5-7-15(10-12)8-9-16(20)17-13(2)11-14(3)19(4)18(17)21/h5-11H,1-4H3/b9-8+
InChIKeyFEMZTPMYZOHGAW-CMDGGOBGSA-N
XLogP3.21
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
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 1,4,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one?
The IUPAC name of 1,4,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one (CID 58710159) is 1,4,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one.
What is the SMILES notation for 1,4,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one?
The canonical SMILES for 1,4,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one is Cc1cccc(/C=C/C(=O)c2c(C)cc(C)n(C)c2=O)c1.
What is the InChIKey of 1,4,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one?
The InChIKey is FEMZTPMYZOHGAW-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12-6-5-7-15(10-12)8-9-16(20)17-13(2)11-14(3)19(4)18(17)21/h5-11H,1-4H3/b9-8+.
What are the key properties of 1,4,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one?
1,4,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one is sourced from PubChem (CID 58710159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).