methyl 2-(1-benzoyl-2,3-dihydroindol-5-yl)acetate

C18H17NO3 — CID 10732628

IUPACmethyl 2-(1-benzoyl-2,3-dihydroindol-5-yl)acetate
SMILESCOC(=O)Cc1ccc2c(c1)CCN2C(=O)c1ccccc1
InChIInChI=1S/C18H17NO3/c1-22-17(20)12-13-7-8-16-15(11-13)9-10-19(16)18(21)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3
InChIKeyXMRVZONKCBGQFP-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.61
Rot. Bonds3

About methyl 2-(1-benzoyl-2,3-dihydroindol-5-yl)acetate

methyl 2-(1-benzoyl-2,3-dihydroindol-5-yl)acetate (PubChem CID 10732628) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 2-(1-benzoyl-2,3-dihydroindol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-benzoyl-2,3-dihydroindol-5-yl)acetate
PubChem CID10732628
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namemethyl 2-(1-benzoyl-2,3-dihydroindol-5-yl)acetate
SMILESCOC(=O)Cc1ccc2c(c1)CCN2C(=O)c1ccccc1
InChIInChI=1S/C18H17NO3/c1-22-17(20)12-13-7-8-16-15(11-13)9-10-19(16)18(21)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3
InChIKeyXMRVZONKCBGQFP-UHFFFAOYSA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-methoxybenzamide
CID 53093708
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-phenoxypropanamide
CID 53093735
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3,4-diethoxybenzamide
CID 53093713
acetaldehyde;ethane;methyl 2-(1-methyl-2,3-dihydroindol-5-yl)acetate
CID 142945145
[5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone
CID 53212554
methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 16834631
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
CID 3541809
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 53093738
3-methoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide
CID 53093620
ethyl 2-[(1-benzoyl-2,3-dihydroindol-5-yl)amino]-2-oxoacetate
CID 112506147

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-benzoyl-2,3-dihydroindol-5-yl)acetate?
The IUPAC name of methyl 2-(1-benzoyl-2,3-dihydroindol-5-yl)acetate (CID 10732628) is methyl 2-(1-benzoyl-2,3-dihydroindol-5-yl)acetate.
What is the SMILES notation for methyl 2-(1-benzoyl-2,3-dihydroindol-5-yl)acetate?
The canonical SMILES for methyl 2-(1-benzoyl-2,3-dihydroindol-5-yl)acetate is COC(=O)Cc1ccc2c(c1)CCN2C(=O)c1ccccc1.
What is the InChIKey of methyl 2-(1-benzoyl-2,3-dihydroindol-5-yl)acetate?
The InChIKey is XMRVZONKCBGQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-22-17(20)12-13-7-8-16-15(11-13)9-10-19(16)18(21)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3.
What are the key properties of methyl 2-(1-benzoyl-2,3-dihydroindol-5-yl)acetate?
methyl 2-(1-benzoyl-2,3-dihydroindol-5-yl)acetate has a molecular weight of 295.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-benzoyl-2,3-dihydroindol-5-yl)acetate is sourced from PubChem (CID 10732628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).