4-hydroxy-1,5,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one

C18H19NO3 — CID 58882053

IUPAC4-hydroxy-1,5,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one
SMILESCc1cccc(/C=C/C(=O)c2c(O)c(C)c(C)n(C)c2=O)c1
InChIInChI=1S/C18H19NO3/c1-11-6-5-7-14(10-11)8-9-15(20)16-17(21)12(2)13(3)19(4)18(16)22/h5-10,21H,1-4H3/b9-8+
InChIKeyKXUFLMIQHYPEIB-CMDGGOBGSA-N
MW297.35 g/mol
LogP2.91
Rot. Bonds3

About 4-hydroxy-1,5,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one

4-hydroxy-1,5,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one (PubChem CID 58882053) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-hydroxy-1,5,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1,5,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one
PubChem CID58882053
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name4-hydroxy-1,5,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one
SMILESCc1cccc(/C=C/C(=O)c2c(O)c(C)c(C)n(C)c2=O)c1
InChIInChI=1S/C18H19NO3/c1-11-6-5-7-14(10-11)8-9-15(20)16-17(21)12(2)13(3)19(4)18(16)22/h5-10,21H,1-4H3/b9-8+
InChIKeyKXUFLMIQHYPEIB-CMDGGOBGSA-N
XLogP2.91
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.91
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 4-hydroxy-1,5,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one?
The IUPAC name of 4-hydroxy-1,5,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one (CID 58882053) is 4-hydroxy-1,5,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one.
What is the SMILES notation for 4-hydroxy-1,5,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one?
The canonical SMILES for 4-hydroxy-1,5,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one is Cc1cccc(/C=C/C(=O)c2c(O)c(C)c(C)n(C)c2=O)c1.
What is the InChIKey of 4-hydroxy-1,5,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one?
The InChIKey is KXUFLMIQHYPEIB-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H19NO3/c1-11-6-5-7-14(10-11)8-9-15(20)16-17(21)12(2)13(3)19(4)18(16)22/h5-10,21H,1-4H3/b9-8+.
What are the key properties of 4-hydroxy-1,5,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one?
4-hydroxy-1,5,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one has a molecular weight of 297.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,5,6-trimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one is sourced from PubChem (CID 58882053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).