methyl (2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylate

C20H15NO3 — CID 171482584

IUPACmethyl (2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylate
SMILESCOC(=O)[C@]1(c2ccccc2)Nc2c(ccc3ccccc23)C1=O
InChIInChI=1S/C20H15NO3/c1-24-19(23)20(14-8-3-2-4-9-14)18(22)16-12-11-13-7-5-6-10-15(13)17(16)21-20/h2-12,21H,1H3/t20-/m1/s1
InChIKeyVGDCKOHRZCUEOF-HXUWFJFHSA-N
MW317.34 g/mol
LogP3.52
Rot. Bonds2

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

methyl (2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylate (PubChem CID 171482584) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is methyl (2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylate
PubChem CID171482584
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Namemethyl (2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylate
SMILESCOC(=O)[C@]1(c2ccccc2)Nc2c(ccc3ccccc23)C1=O
InChIInChI=1S/C20H15NO3/c1-24-19(23)20(14-8-3-2-4-9-14)18(22)16-12-11-13-7-5-6-10-15(13)17(16)21-20/h2-12,21H,1H3/t20-/m1/s1
InChIKeyVGDCKOHRZCUEOF-HXUWFJFHSA-N
XLogP3.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylate 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

(2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylic acid
CID 175571239
ethyl (2R)-2-(4-nitrophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylate
CID 171482574
(2R)-2-(4-nitrophenyl)-3-oxo-1H-benzo[g]indole-2-carboxylic acid
CID 175571215
methyl 6-methyl-3-oxo-1-(3-phenylphenyl)-2H-isoindole-1-carboxylate
CID 176522457
methyl 2-(1-benzylindol-3-yl)-6-chloro-3-oxo-1H-indole-2-carboxylate
CID 155482469
methyl 3-oxo-2-(1H-pyrrol-2-yl)-1H-indole-2-carboxylate
CID 139554600
trans-(1S,2S)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide
CID 137207097
methyl 1-oxo-2-(4-oxopentan-2-yl)-3,4-dihydrophenanthrene-2-carboxylate
CID 5323713
methyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
CID 135588910
(2R)-5-bromo-3-oxo-2-thiophen-2-yl-1H-benzo[g]indole-2-carboxylic acid
CID 175571236
methyl 1,3-dioxobenzo[e]isoindole-2-carboxylate
CID 126563339
methyl 3-hydroxyphenanthrene-4-carboxylate
CID 89028786

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylate?
The IUPAC name of methyl (2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylate (CID 171482584) is methyl (2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylate.
What is the SMILES notation for methyl (2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylate?
The canonical SMILES for methyl (2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylate is COC(=O)[C@]1(c2ccccc2)Nc2c(ccc3ccccc23)C1=O.
What is the InChIKey of methyl (2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylate?
The InChIKey is VGDCKOHRZCUEOF-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H15NO3/c1-24-19(23)20(14-8-3-2-4-9-14)18(22)16-12-11-13-7-5-6-10-15(13)17(16)21-20/h2-12,21H,1H3/t20-/m1/s1.
What are the key properties of methyl (2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylate?
methyl (2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylate has a molecular weight of 317.34 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-oxo-2-phenyl-1H-benzo[g]indole-2-carboxylate is sourced from PubChem (CID 171482584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).