1-(2-methoxyethyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one

C17H22N2O3 — CID 113182487

IUPAC1-(2-methoxyethyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
SMILESCOCCN1CC(C(=O)N2c3ccccc3CC2C)CC1=O
InChIInChI=1S/C17H22N2O3/c1-12-9-13-5-3-4-6-15(13)19(12)17(21)14-10-16(20)18(11-14)7-8-22-2/h3-6,12,14H,7-11H2,1-2H3
InChIKeyWPSXIAAQZIWFBL-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.46
Rot. Bonds4

About 1-(2-methoxyethyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one

1-(2-methoxyethyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one (PubChem CID 113182487) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
PubChem CID113182487
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-(2-methoxyethyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
SMILESCOCCN1CC(C(=O)N2c3ccccc3CC2C)CC1=O
InChIInChI=1S/C17H22N2O3/c1-12-9-13-5-3-4-6-15(13)19(12)17(21)14-10-16(20)18(11-14)7-8-22-2/h3-6,12,14H,7-11H2,1-2H3
InChIKeyWPSXIAAQZIWFBL-UHFFFAOYSA-N
XLogP1.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 93250929
(4S)-4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 37028876
1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113182433
1-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113185869
1-(2-ethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 17120521
3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110838977
1-(3,5-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 17120998
(4S)-1-(2-methoxyethyl)-4-[4-(2-methylphenyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 96576029
(4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 112532262
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
CID 113189841
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188614
(4R)-1-(2-methoxyethyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94047218

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one (CID 113182487) is 1-(2-methoxyethyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one is COCCN1CC(C(=O)N2c3ccccc3CC2C)CC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
The InChIKey is WPSXIAAQZIWFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-9-13-5-3-4-6-15(13)19(12)17(21)14-10-16(20)18(11-14)7-8-22-2/h3-6,12,14H,7-11H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
1-(2-methoxyethyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one has a molecular weight of 302.37 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 113182487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).