(2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylic acid

C19H13NO3 — CID 175571239

IUPAC(2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylic acid
SMILESO=C(O)[C@]1(c2ccccc2)Nc2c(ccc3ccccc23)C1=O
InChIInChI=1S/C19H13NO3/c21-17-15-11-10-12-6-4-5-9-14(12)16(15)20-19(17,18(22)23)13-7-2-1-3-8-13/h1-11,20H,(H,22,23)/t19-/m1/s1
InChIKeyHEBZICGBFQYKCF-LJQANCHMSA-N
MW303.32 g/mol
LogP3.43
Rot. Bonds2

About (2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylic acid

(2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylic acid (PubChem CID 175571239) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is (2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylic acid
PubChem CID175571239
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Name(2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylic acid
SMILESO=C(O)[C@]1(c2ccccc2)Nc2c(ccc3ccccc23)C1=O
InChIInChI=1S/C19H13NO3/c21-17-15-11-10-12-6-4-5-9-14(12)16(15)20-19(17,18(22)23)13-7-2-1-3-8-13/h1-11,20H,(H,22,23)/t19-/m1/s1
InChIKeyHEBZICGBFQYKCF-LJQANCHMSA-N
XLogP3.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-nitrophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid
CID 175571215
methyl (2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylate
CID 171482584
ethyl (2R)-2-(4-nitrophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylate
CID 171482574
(2R)-5-bromo-3-oxo-2-thiophen-2-yl-1H-benzo[g]indole-2-carboxylic acid
CID 175571236
3-hydroxy-2-phenyl-1H-quinoline-2-carboxylic acid
CID 67702787
3,4-dihydro-1H-benzo[i][1,4]benzodiazepine-2,5-dione
CID 11117738
trans-(1S,2S)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide
CID 137207097
(2R)-2-hydroxy-2-phenylbenzo[e][1]benzofuran-1-one
CID 139042115
1-(2-hydroxynaphthalen-1-yl)cyclopropane-1-carboxylic acid
CID 117328645
2-(1-aminonaphthalen-2-yl)benzoic acid
CID 21398858
acetic acid;chrysene
CID 175201446
naphtho[2,1-e]isoindole-1,3-dione
CID 87830454

Frequently Asked Questions

What is the IUPAC name of (2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylic acid?
The IUPAC name of (2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylic acid (CID 175571239) is (2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylic acid.
What is the SMILES notation for (2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylic acid?
The canonical SMILES for (2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylic acid is O=C(O)[C@]1(c2ccccc2)Nc2c(ccc3ccccc23)C1=O.
What is the InChIKey of (2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylic acid?
The InChIKey is HEBZICGBFQYKCF-LJQANCHMSA-N. The full InChI is InChI=1S/C19H13NO3/c21-17-15-11-10-12-6-4-5-9-14(12)16(15)20-19(17,18(22)23)13-7-2-1-3-8-13/h1-11,20H,(H,22,23)/t19-/m1/s1.
What are the key properties of (2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylic acid?
(2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylic acid is sourced from PubChem (CID 175571239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).