[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone

C23H28N2O — CID 174921139

IUPAC[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
SMILESCC(C)CN1CC[C@H](C(=O)N2CCc3c(-c4ccccc4)cccc32)C1
InChIInChI=1S/C23H28N2O/c1-17(2)15-24-13-11-19(16-24)23(26)25-14-12-21-20(9-6-10-22(21)25)18-7-4-3-5-8-18/h3-10,17,19H,11-16H2,1-2H3/t19-/m0/s1
InChIKeyPNROSIRHNUWUII-IBGZPJMESA-N
MW348.49 g/mol
LogP4.22
Rot. Bonds4

About [(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone

[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 174921139) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is [(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
PubChem CID174921139
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
SMILESCC(C)CN1CC[C@H](C(=O)N2CCc3c(-c4ccccc4)cccc32)C1
InChIInChI=1S/C23H28N2O/c1-17(2)15-24-13-11-19(16-24)23(26)25-14-12-21-20(9-6-10-22(21)25)18-7-4-3-5-8-18/h3-10,17,19H,11-16H2,1-2H3/t19-/m0/s1
InChIKeyPNROSIRHNUWUII-IBGZPJMESA-N
XLogP4.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-phenyl-2,3-dihydroindol-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 174921124
(5S)-5-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 129398640
(4-phenyl-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone
CID 174895867
(3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 174863774
[1-methyl-3-(1-methylpyrazol-4-yl)piperidin-4-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
CID 155952398
tert-butyl (2S)-2-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate
CID 140885141
(2R)-2-[[1-(2-methylpropyl)pyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119367932
(3R)-1-[(2S)-2-phenylpropyl]pyrrolidine-3-carboxylic acid
CID 129413679
2,3-dihydroindol-1-yl-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]methanone
CID 172904104
[5-(hydroxymethyl)-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
CID 168875760
(4-bromo-2,3-dihydroindol-1-yl)-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanone
CID 174895884
(2S)-1-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid
CID 164610990

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone (CID 174921139) is [(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone is CC(C)CN1CC[C@H](C(=O)N2CCc3c(-c4ccccc4)cccc32)C1.
What is the InChIKey of [(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is PNROSIRHNUWUII-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28N2O/c1-17(2)15-24-13-11-19(16-24)23(26)25-14-12-21-20(9-6-10-22(21)25)18-7-4-3-5-8-18/h3-10,17,19H,11-16H2,1-2H3/t19-/m0/s1.
What are the key properties of [(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 348.49 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 174921139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).