2-[(2-oxo-3H-indol-1-yl)methyl]benzoic acid

C16H13NO3 — CID 43473224

IUPAC2-[(2-oxo-3H-indol-1-yl)methyl]benzoic acid
SMILESO=C(O)c1ccccc1CN1C(=O)Cc2ccccc21
InChIInChI=1S/C16H13NO3/c18-15-9-11-5-2-4-8-14(11)17(15)10-12-6-1-3-7-13(12)16(19)20/h1-8H,9-10H2,(H,19,20)
InChIKeyUJOFLRHFFVIBEB-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.47
Rot. Bonds3

About 2-[(2-oxo-3H-indol-1-yl)methyl]benzoic acid

2-[(2-oxo-3H-indol-1-yl)methyl]benzoic acid (PubChem CID 43473224) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[(2-oxo-3H-indol-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name2-[(2-oxo-3H-indol-1-yl)methyl]benzoic acid
PubChem CID43473224
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name2-[(2-oxo-3H-indol-1-yl)methyl]benzoic acid
SMILESO=C(O)c1ccccc1CN1C(=O)Cc2ccccc21
InChIInChI=1S/C16H13NO3/c18-15-9-11-5-2-4-8-14(11)17(15)10-12-6-1-3-7-13(12)16(19)20/h1-8H,9-10H2,(H,19,20)
InChIKeyUJOFLRHFFVIBEB-UHFFFAOYSA-N
XLogP2.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoic acid
CID 43415517
2-[(2,3-dioxoindol-1-yl)methyl]benzoic acid
CID 43415538
2-(2-oxo-3H-indol-1-yl)acetamide
CID 840219
1-(2-hydroxyethyl)-3H-indol-2-one
CID 18624228
1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 82083873
1-[3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354664
2-[(3-oxo-1H-isoindol-2-yl)methyl]benzoic acid
CID 43625924
1-(4-oxopentyl)-3H-indol-2-one
CID 114999184
1-(pyridin-2-ylmethyl)-3H-indol-2-one
CID 90893291
1-(2-sulfanylethyl)-3H-indol-2-one
CID 117030099
5-methyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid
CID 62273109
1-(2-oxo-2-piperazin-1-ylethyl)-3H-indol-2-one
CID 24696851

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3H-indol-1-yl)methyl]benzoic acid?
The IUPAC name of 2-[(2-oxo-3H-indol-1-yl)methyl]benzoic acid (CID 43473224) is 2-[(2-oxo-3H-indol-1-yl)methyl]benzoic acid.
What is the SMILES notation for 2-[(2-oxo-3H-indol-1-yl)methyl]benzoic acid?
The canonical SMILES for 2-[(2-oxo-3H-indol-1-yl)methyl]benzoic acid is O=C(O)c1ccccc1CN1C(=O)Cc2ccccc21.
What is the InChIKey of 2-[(2-oxo-3H-indol-1-yl)methyl]benzoic acid?
The InChIKey is UJOFLRHFFVIBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c18-15-9-11-5-2-4-8-14(11)17(15)10-12-6-1-3-7-13(12)16(19)20/h1-8H,9-10H2,(H,19,20).
What are the key properties of 2-[(2-oxo-3H-indol-1-yl)methyl]benzoic acid?
2-[(2-oxo-3H-indol-1-yl)methyl]benzoic acid has a molecular weight of 267.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3H-indol-1-yl)methyl]benzoic acid is sourced from PubChem (CID 43473224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).