(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one

C16H20N2O2 — CID 9400843

IUPAC(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C[C@@H](C(=O)N2CCc3ccccc32)CC1=O
InChIInChI=1S/C16H20N2O2/c1-11(2)18-10-13(9-15(18)19)16(20)17-8-7-12-5-3-4-6-14(12)17/h3-6,11,13H,7-10H2,1-2H3/t13-/m0/s1
InChIKeyPMUNCKVAOFRDAC-ZDUSSCGKSA-N
MW272.35 g/mol
LogP1.83
Rot. Bonds2

About (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one

(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 9400843) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID9400843
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C[C@@H](C(=O)N2CCc3ccccc32)CC1=O
InChIInChI=1S/C16H20N2O2/c1-11(2)18-10-13(9-15(18)19)16(20)17-8-7-12-5-3-4-6-14(12)17/h3-6,11,13H,7-10H2,1-2H3/t13-/m0/s1
InChIKeyPMUNCKVAOFRDAC-ZDUSSCGKSA-N
XLogP1.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one
CID 9365050
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2-ethoxyphenyl)pyrrolidin-2-one
CID 2516185
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one
CID 9395508
1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone
CID 90511233
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one
CID 47166895
(4R)-4-(2,3-dihydroindole-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 26290450
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 38484249
4-(2,3-dihydroindole-1-carbonyl)piperidin-2-one
CID 110682120
(1-cyclopropylsulfonylazetidin-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 90513387
4-(2,3-dihydroindole-1-carbonyl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-one
CID 113185135
4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 110346177
(3S)-2-[(3S)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 129414568

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one (CID 9400843) is (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one is CC(C)N1C[C@@H](C(=O)N2CCc3ccccc32)CC1=O.
What is the InChIKey of (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is PMUNCKVAOFRDAC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(2)18-10-13(9-15(18)19)16(20)17-8-7-12-5-3-4-6-14(12)17/h3-6,11,13H,7-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 272.35 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,3-dihydroindole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 9400843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).