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

C19H20N2O — CID 174921124

IUPAC(4-phenyl-2,3-dihydroindol-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
SMILESO=C([C@H]1CCNC1)N1CCc2c(-c3ccccc3)cccc21
InChIInChI=1S/C19H20N2O/c22-19(15-9-11-20-13-15)21-12-10-17-16(7-4-8-18(17)21)14-5-2-1-3-6-14/h1-8,15,20H,9-13H2/t15-/m0/s1
InChIKeyZBGVFKUCHFFDQE-HNNXBMFYSA-N
MW292.38 g/mol
LogP2.85
Rot. Bonds2

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

(4-phenyl-2,3-dihydroindol-1-yl)-[(3S)-pyrrolidin-3-yl]methanone (PubChem CID 174921124) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is (4-phenyl-2,3-dihydroindol-1-yl)-[(3S)-pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-phenyl-2,3-dihydroindol-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
PubChem CID174921124
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name(4-phenyl-2,3-dihydroindol-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
SMILESO=C([C@H]1CCNC1)N1CCc2c(-c3ccccc3)cccc21
InChIInChI=1S/C19H20N2O/c22-19(15-9-11-20-13-15)21-12-10-17-16(7-4-8-18(17)21)14-5-2-1-3-6-14/h1-8,15,20H,9-13H2/t15-/m0/s1
InChIKeyZBGVFKUCHFFDQE-HNNXBMFYSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-phenyl-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone
CID 174895867
(6-phenyl-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone
CID 175322800
(5S)-5-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 129398640
1-(pyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 63007267
[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
CID 174921139
2,3-dihydro-1,4-benzoxazin-4-yl(pyrrolidin-3-yl)methanone
CID 63005604
1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61160509
(6-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 130345290
(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119889173
(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119891426
tert-butyl (2S)-2-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate
CID 140885141
4-(pyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 63006373

Frequently Asked Questions

What is the IUPAC name of (4-phenyl-2,3-dihydroindol-1-yl)-[(3S)-pyrrolidin-3-yl]methanone?
The IUPAC name of (4-phenyl-2,3-dihydroindol-1-yl)-[(3S)-pyrrolidin-3-yl]methanone (CID 174921124) is (4-phenyl-2,3-dihydroindol-1-yl)-[(3S)-pyrrolidin-3-yl]methanone.
What is the SMILES notation for (4-phenyl-2,3-dihydroindol-1-yl)-[(3S)-pyrrolidin-3-yl]methanone?
The canonical SMILES for (4-phenyl-2,3-dihydroindol-1-yl)-[(3S)-pyrrolidin-3-yl]methanone is O=C([C@H]1CCNC1)N1CCc2c(-c3ccccc3)cccc21.
What is the InChIKey of (4-phenyl-2,3-dihydroindol-1-yl)-[(3S)-pyrrolidin-3-yl]methanone?
The InChIKey is ZBGVFKUCHFFDQE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N2O/c22-19(15-9-11-20-13-15)21-12-10-17-16(7-4-8-18(17)21)14-5-2-1-3-6-14/h1-8,15,20H,9-13H2/t15-/m0/s1.
What are the key properties of (4-phenyl-2,3-dihydroindol-1-yl)-[(3S)-pyrrolidin-3-yl]methanone?
(4-phenyl-2,3-dihydroindol-1-yl)-[(3S)-pyrrolidin-3-yl]methanone has a molecular weight of 292.38 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-2,3-dihydroindol-1-yl)-[(3S)-pyrrolidin-3-yl]methanone is sourced from PubChem (CID 174921124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).