(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one

C17H22N2O3 — CID 9365050

IUPAC(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one
SMILESCOC[C@@H](C)N1C[C@@H](C(=O)N2CCc3ccccc32)CC1=O
InChIInChI=1S/C17H22N2O3/c1-12(11-22-2)19-10-14(9-16(19)20)17(21)18-8-7-13-5-3-4-6-15(13)18/h3-6,12,14H,7-11H2,1-2H3/t12-,14+/m1/s1
InChIKeyFDACGUGQXRYZKW-OCCSQVGLSA-N
MW302.37 g/mol
LogP1.46
Rot. Bonds4

About (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one

(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one (PubChem CID 9365050) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one
PubChem CID9365050
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one
SMILESCOC[C@@H](C)N1C[C@@H](C(=O)N2CCc3ccccc32)CC1=O
InChIInChI=1S/C17H22N2O3/c1-12(11-22-2)19-10-14(9-16(19)20)17(21)18-8-7-13-5-3-4-6-15(13)18/h3-6,12,14H,7-11H2,1-2H3/t12-,14+/m1/s1
InChIKeyFDACGUGQXRYZKW-OCCSQVGLSA-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-(2,3-dihydroindole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 9400843
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one
CID 9395508
(4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one
CID 9364973
4-(2,3-dihydroindole-1-carbonyl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-one
CID 113185135
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2-ethoxyphenyl)pyrrolidin-2-one
CID 2516185
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one
CID 47166895
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9364904
(3R)-N-benzyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365043
(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 35503338
(3R)-N-benzyl-1-[(2R)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 9365076
(3S)-N-(2-chlorophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365109
(3S)-N-(2-chlorophenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365110

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one (CID 9365050) is (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one is COC[C@@H](C)N1C[C@@H](C(=O)N2CCc3ccccc32)CC1=O.
What is the InChIKey of (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one?
The InChIKey is FDACGUGQXRYZKW-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12(11-22-2)19-10-14(9-16(19)20)17(21)18-8-7-13-5-3-4-6-15(13)18/h3-6,12,14H,7-11H2,1-2H3/t12-,14+/m1/s1.
What are the key properties of (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one?
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]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 (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 9365050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).