methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate

C17H15NO3 — CID 10660450

IUPACmethyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1
InChIInChI=1S/C17H15NO3/c1-21-17(20)14-7-8-15-13(11-14)9-10-18(15)16(19)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKeyNRQALVVHRRRPDB-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.68
Rot. Bonds2

About methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate

methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate (PubChem CID 10660450) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
PubChem CID10660450
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namemethyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1
InChIInChI=1S/C17H15NO3/c1-21-17(20)14-7-8-15-13(11-14)9-10-18(15)16(19)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKeyNRQALVVHRRRPDB-UHFFFAOYSA-N
XLogP2.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
methyl 2-(1-benzoyl-2,3-dihydroindol-5-yl)acetate
CID 10732628
methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917334
methyl 1-[2-(difluoromethoxy)benzoyl]-2,3-dihydroindole-5-carboxylate
CID 51338171
methyl 1-(2-phenoxy-2-phenylacetyl)-2,3-dihydroindole-5-carboxylate
CID 55758876
methyl 1-(3,3-dimethylbutanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917336
methyl 1-[3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoyl]-2,3-dihydroindole-5-carboxylate
CID 55514916
methyl 1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]-2,3-dihydroindole-5-carboxylate
CID 78873448
methyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate
CID 86917335
methyl 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroindole-5-carboxylate
CID 55871361
methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 16834631
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206

Frequently Asked Questions

What is the IUPAC name of methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate?
The IUPAC name of methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate (CID 10660450) is methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate is COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1.
What is the InChIKey of methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate?
The InChIKey is NRQALVVHRRRPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-21-17(20)14-7-8-15-13(11-14)9-10-18(15)16(19)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3.
What are the key properties of methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate?
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 10660450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).