(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2-ethoxyphenyl)pyrrolidin-2-one

C21H22N2O3 — CID 2516185

IUPAC(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2-ethoxyphenyl)pyrrolidin-2-one
SMILESCCOc1ccccc1N1C[C@@H](C(=O)N2CCc3ccccc32)CC1=O
InChIInChI=1S/C21H22N2O3/c1-2-26-19-10-6-5-9-18(19)23-14-16(13-20(23)24)21(25)22-12-11-15-7-3-4-8-17(15)22/h3-10,16H,2,11-14H2,1H3/t16-/m0/s1
InChIKeyBTCWVYWSBLISQJ-INIZCTEOSA-N
MW350.42 g/mol
LogP3.03
Rot. Bonds4

About (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2-ethoxyphenyl)pyrrolidin-2-one

(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2-ethoxyphenyl)pyrrolidin-2-one (PubChem CID 2516185) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2-ethoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2-ethoxyphenyl)pyrrolidin-2-one
PubChem CID2516185
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2-ethoxyphenyl)pyrrolidin-2-one
SMILESCCOc1ccccc1N1C[C@@H](C(=O)N2CCc3ccccc32)CC1=O
InChIInChI=1S/C21H22N2O3/c1-2-26-19-10-6-5-9-18(19)23-14-16(13-20(23)24)21(25)22-12-11-15-7-3-4-8-17(15)22/h3-10,16H,2,11-14H2,1H3/t16-/m0/s1
InChIKeyBTCWVYWSBLISQJ-INIZCTEOSA-N
XLogP3.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 55438508
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one
CID 9395508
1-(2-ethoxyphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119402096
1-(2-ethoxyphenyl)-4-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55717950
(4R)-4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 9415361
1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 18886165
(2R)-1-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371077
(4R)-1-(2-ethoxyphenyl)-4-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9254687
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 9400843
(3S)-1-(2-ethoxyphenyl)-N',N'-dimethyl-5-oxopyrrolidine-3-carbohydrazide
CID 9164078
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846
6-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137349

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2-ethoxyphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2-ethoxyphenyl)pyrrolidin-2-one (CID 2516185) is (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2-ethoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2-ethoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2-ethoxyphenyl)pyrrolidin-2-one is CCOc1ccccc1N1C[C@@H](C(=O)N2CCc3ccccc32)CC1=O.
What is the InChIKey of (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2-ethoxyphenyl)pyrrolidin-2-one?
The InChIKey is BTCWVYWSBLISQJ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-2-26-19-10-6-5-9-18(19)23-14-16(13-20(23)24)21(25)22-12-11-15-7-3-4-8-17(15)22/h3-10,16H,2,11-14H2,1H3/t16-/m0/s1.
What are the key properties of (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2-ethoxyphenyl)pyrrolidin-2-one?
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2-ethoxyphenyl)pyrrolidin-2-one has a molecular weight of 350.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2-ethoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 2516185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).