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

C20H21NO5 — CID 137160555

IUPAC4-hydroxy-3-[(E)-3-[4-(4-methoxybutanoyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one
SMILESCOCCCC(=O)c1ccc(/C=C/C(=O)c2c(O)cc(C)[nH]c2=O)cc1
InChIInChI=1S/C20H21NO5/c1-13-12-18(24)19(20(25)21-13)17(23)10-7-14-5-8-15(9-6-14)16(22)4-3-11-26-2/h5-10,12H,3-4,11H2,1-2H3,(H2,21,24,25)/b10-7+
InChIKeyOLBHFSPJMYWCMN-JXMROGBWSA-N
MW355.39 g/mol
LogP2.89
Rot. Bonds8

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

4-hydroxy-3-[(E)-3-[4-(4-methoxybutanoyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one (PubChem CID 137160555) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-hydroxy-3-[(E)-3-[4-(4-methoxybutanoyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(E)-3-[4-(4-methoxybutanoyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one
PubChem CID137160555
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name4-hydroxy-3-[(E)-3-[4-(4-methoxybutanoyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one
SMILESCOCCCC(=O)c1ccc(/C=C/C(=O)c2c(O)cc(C)[nH]c2=O)cc1
InChIInChI=1S/C20H21NO5/c1-13-12-18(24)19(20(25)21-13)17(23)10-7-14-5-8-15(9-6-14)16(22)4-3-11-26-2/h5-10,12H,3-4,11H2,1-2H3,(H2,21,24,25)/b10-7+
InChIKeyOLBHFSPJMYWCMN-JXMROGBWSA-N
XLogP2.89
TPSA96.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)benzoate
CID 69792611
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]-6-methyl-1H-pyridin-2-one
CID 137121356
N-[4-[4-[3-(dihydroxymethyl)-6-methylheptanoyl]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]pentanamide
CID 143314102
3-[3-[4-(2-hydroxypropan-2-yl)phenyl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one
CID 158617006

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(E)-3-[4-(4-methoxybutanoyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-3-[(E)-3-[4-(4-methoxybutanoyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one (CID 137160555) is 4-hydroxy-3-[(E)-3-[4-(4-methoxybutanoyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-[(E)-3-[4-(4-methoxybutanoyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-3-[(E)-3-[4-(4-methoxybutanoyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one is COCCCC(=O)c1ccc(/C=C/C(=O)c2c(O)cc(C)[nH]c2=O)cc1.
What is the InChIKey of 4-hydroxy-3-[(E)-3-[4-(4-methoxybutanoyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is OLBHFSPJMYWCMN-JXMROGBWSA-N. The full InChI is InChI=1S/C20H21NO5/c1-13-12-18(24)19(20(25)21-13)17(23)10-7-14-5-8-15(9-6-14)16(22)4-3-11-26-2/h5-10,12H,3-4,11H2,1-2H3,(H2,21,24,25)/b10-7+.
What are the key properties of 4-hydroxy-3-[(E)-3-[4-(4-methoxybutanoyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one?
4-hydroxy-3-[(E)-3-[4-(4-methoxybutanoyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 355.39 g/mol, XLogP of 2.89, 8 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-[4-(4-methoxybutanoyl)phenyl]prop-2-enoyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 137160555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).