2-[6-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]-2-oxo-1H-pyridin-3-yl]acetic acid

C17H17NO4 — CID 70067324

IUPAC2-[6-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]-2-oxo-1H-pyridin-3-yl]acetic acid
SMILESC/C=C/c1cc(-c2ccc(CC(=O)O)c(=O)[nH]2)ccc1OC
InChIInChI=1S/C17H17NO4/c1-3-4-12-9-11(6-8-15(12)22-2)14-7-5-13(10-16(19)20)17(21)18-14/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)/b4-3+
InChIKeyLQKMRHVAQKQGDM-ONEGZZNKSA-N
MW299.33 g/mol
LogP2.71
Rot. Bonds5

About 2-[6-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]-2-oxo-1H-pyridin-3-yl]acetic acid

2-[6-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]-2-oxo-1H-pyridin-3-yl]acetic acid (PubChem CID 70067324) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[6-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]-2-oxo-1H-pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]-2-oxo-1H-pyridin-3-yl]acetic acid
PubChem CID70067324
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name2-[6-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]-2-oxo-1H-pyridin-3-yl]acetic acid
SMILESC/C=C/c1cc(-c2ccc(CC(=O)O)c(=O)[nH]2)ccc1OC
InChIInChI=1S/C17H17NO4/c1-3-4-12-9-11(6-8-15(12)22-2)14-7-5-13(10-16(19)20)17(21)18-14/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)/b4-3+
InChIKeyLQKMRHVAQKQGDM-ONEGZZNKSA-N
XLogP2.71
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyridin-3-yl]acetic acid
CID 82517496
3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one
CID 82517389
2-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)acetic acid
CID 54187003
3-(aminomethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one
CID 82517371
6-(3,4-dimethoxyphenyl)-3-(propylaminomethyl)-1H-pyridin-2-one
CID 82517620
4-(3,4-dimethoxyphenyl)-4-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]butan-2-one
CID 10155101
2-(2-methoxy-4-phenylphenyl)acetic acid
CID 23503476
3-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid
CID 169453813
3-(ethylaminomethyl)-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82518160
N-benzyl-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 25096901
2-[2-(3-bromo-4-methoxyphenyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 136827159
2-(2-bromo-3,6-dimethoxyphenyl)acetic acid
CID 84810613

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]-2-oxo-1H-pyridin-3-yl]acetic acid?
The IUPAC name of 2-[6-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]-2-oxo-1H-pyridin-3-yl]acetic acid (CID 70067324) is 2-[6-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]-2-oxo-1H-pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[6-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]-2-oxo-1H-pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[6-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]-2-oxo-1H-pyridin-3-yl]acetic acid is C/C=C/c1cc(-c2ccc(CC(=O)O)c(=O)[nH]2)ccc1OC.
What is the InChIKey of 2-[6-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]-2-oxo-1H-pyridin-3-yl]acetic acid?
The InChIKey is LQKMRHVAQKQGDM-ONEGZZNKSA-N. The full InChI is InChI=1S/C17H17NO4/c1-3-4-12-9-11(6-8-15(12)22-2)14-7-5-13(10-16(19)20)17(21)18-14/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)/b4-3+.
What are the key properties of 2-[6-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]-2-oxo-1H-pyridin-3-yl]acetic acid?
2-[6-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]-2-oxo-1H-pyridin-3-yl]acetic acid has a molecular weight of 299.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]-2-oxo-1H-pyridin-3-yl]acetic acid is sourced from PubChem (CID 70067324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).