4-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxylic acid

C14H13NO4 — CID 43340369

IUPAC4-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxylic acid
SMILESCOc1cccc(C(=O)c2cc(C(=O)O)n(C)c2)c1
InChIInChI=1S/C14H13NO4/c1-15-8-10(7-12(15)14(17)18)13(16)9-4-3-5-11(6-9)19-2/h3-8H,1-2H3,(H,17,18)
InChIKeyZWXHIFROXSSCEC-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.96
Rot. Bonds4

About 4-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxylic acid

4-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxylic acid (PubChem CID 43340369) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxylic acid
PubChem CID43340369
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name4-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxylic acid
SMILESCOc1cccc(C(=O)c2cc(C(=O)O)n(C)c2)c1
InChIInChI=1S/C14H13NO4/c1-15-8-10(7-12(15)14(17)18)13(16)9-4-3-5-11(6-9)19-2/h3-8H,1-2H3,(H,17,18)
InChIKeyZWXHIFROXSSCEC-UHFFFAOYSA-N
XLogP1.96
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-(3-propan-2-yloxybenzoyl)pyrrole-2-carboxylic acid
CID 62921507
4-(2,6-dimethoxybenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 43162043
1-methyl-4-(3-methylbenzoyl)pyrrole-2-carboxylic acid
CID 43340362
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
(3-methoxyphenyl)-(3-methylimidazol-4-yl)methanone
CID 82895758
4-(2-methoxy-5-methylbenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 62505239
4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid
CID 2764442
(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685545
4-(3,5-dichlorobenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 43340367
(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
4-(2,3-dichlorobenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 1489246
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159799

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxylic acid (CID 43340369) is 4-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxylic acid is COc1cccc(C(=O)c2cc(C(=O)O)n(C)c2)c1.
What is the InChIKey of 4-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxylic acid?
The InChIKey is ZWXHIFROXSSCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-15-8-10(7-12(15)14(17)18)13(16)9-4-3-5-11(6-9)19-2/h3-8H,1-2H3,(H,17,18).
What are the key properties of 4-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxylic acid?
4-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43340369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).