4-hydroxy-3-[(E)-3-[3-(3-methoxy-2-oxopropyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one

C19H19NO5 — CID 137121356

IUPAC4-hydroxy-3-[(E)-3-[3-(3-methoxy-2-oxopropyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one
SMILESCOCC(=O)Cc1cccc(/C=C/C(=O)c2c(O)cc(C)[nH]c2=O)c1
InChIInChI=1S/C19H19NO5/c1-12-8-17(23)18(19(24)20-12)16(22)7-6-13-4-3-5-14(9-13)10-15(21)11-25-2/h3-9H,10-11H2,1-2H3,(H2,20,23,24)/b7-6+
InChIKeyVADHTDATDPGXTN-VOTSOKGWSA-N
MW341.36 g/mol
LogP2.04
Rot. Bonds7

About 4-hydroxy-3-[(E)-3-[3-(3-methoxy-2-oxopropyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one

4-hydroxy-3-[(E)-3-[3-(3-methoxy-2-oxopropyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one (PubChem CID 137121356) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 4-hydroxy-3-[(E)-3-[3-(3-methoxy-2-oxopropyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(E)-3-[3-(3-methoxy-2-oxopropyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one
PubChem CID137121356
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name4-hydroxy-3-[(E)-3-[3-(3-methoxy-2-oxopropyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one
SMILESCOCC(=O)Cc1cccc(/C=C/C(=O)c2c(O)cc(C)[nH]c2=O)c1
InChIInChI=1S/C19H19NO5/c1-12-8-17(23)18(19(24)20-12)16(22)7-6-13-4-3-5-14(9-13)10-15(21)11-25-2/h3-9H,10-11H2,1-2H3,(H2,20,23,24)/b7-6+
InChIKeyVADHTDATDPGXTN-VOTSOKGWSA-N
XLogP2.04
TPSA96.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S,6S)-1-[(5Z)-5-benzylidene-4-hydroxy-2-oxopyrrol-3-yl]-6,8-dihydroxy-2,4,6-trimethyloctane-1,7-dione
CID 177643292
(5Z)-5-benzylidene-4-hydroxy-3-[(2S,4R,6R,7S)-7-hydroxy-2,4,6-trimethyloctanoyl]pyrrol-2-one
CID 177644179
Benzenebutanoic acid, 3-[(3,5-diethyl-1,6-dihydro-4-hydroxy-6-oxo-2-pyridinyl)methyl]-alpha-ethyl-beta-oxo-, ethyl ester
CID 54680075
methyl 4-[4-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]phenyl]-4-oxobutanoate
CID 137022502
4-hydroxy-3-[(E)-3-[3-(3-methoxy-2-oxopropyl)phenyl]prop-2-enoyl]-1,6-dimethylpyridin-2-one
CID 137141288
4-hydroxy-3-[(E)-3-[4-(4-methoxybutanoyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one
CID 137160555

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(E)-3-[3-(3-methoxy-2-oxopropyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-3-[(E)-3-[3-(3-methoxy-2-oxopropyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one (CID 137121356) is 4-hydroxy-3-[(E)-3-[3-(3-methoxy-2-oxopropyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-[(E)-3-[3-(3-methoxy-2-oxopropyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-3-[(E)-3-[3-(3-methoxy-2-oxopropyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one is COCC(=O)Cc1cccc(/C=C/C(=O)c2c(O)cc(C)[nH]c2=O)c1.
What is the InChIKey of 4-hydroxy-3-[(E)-3-[3-(3-methoxy-2-oxopropyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is VADHTDATDPGXTN-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H19NO5/c1-12-8-17(23)18(19(24)20-12)16(22)7-6-13-4-3-5-14(9-13)10-15(21)11-25-2/h3-9H,10-11H2,1-2H3,(H2,20,23,24)/b7-6+.
What are the key properties of 4-hydroxy-3-[(E)-3-[3-(3-methoxy-2-oxopropyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one?
4-hydroxy-3-[(E)-3-[3-(3-methoxy-2-oxopropyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 341.36 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(E)-3-[3-(3-methoxy-2-oxopropyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 137121356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).