1-benzyl-5-(3H-indol-1-ium-3-yl)pyrrolidin-2-one

C19H19N2O+ — CID 134942203

IUPAC1-benzyl-5-(3H-indol-1-ium-3-yl)pyrrolidin-2-one
SMILESO=C1CCC(C2C=[NH+]c3ccccc32)N1Cc1ccccc1
InChIInChI=1S/C19H18N2O/c22-19-11-10-18(21(19)13-14-6-2-1-3-7-14)16-12-20-17-9-5-4-8-15(16)17/h1-9,12,16,18H,10-11,13H2/p+1
InChIKeyNFEGKAKJAMQBMR-UHFFFAOYSA-O
MW291.37 g/mol
LogP1.76
Rot. Bonds3

About 1-benzyl-5-(3H-indol-1-ium-3-yl)pyrrolidin-2-one

1-benzyl-5-(3H-indol-1-ium-3-yl)pyrrolidin-2-one (PubChem CID 134942203) has the molecular formula C19H19N2O+ and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-benzyl-5-(3H-indol-1-ium-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-(3H-indol-1-ium-3-yl)pyrrolidin-2-one
PubChem CID134942203
Molecular FormulaC19H19N2O+
Molecular Weight291.37 g/mol
Exact Mass291.15
IUPAC Name1-benzyl-5-(3H-indol-1-ium-3-yl)pyrrolidin-2-one
SMILESO=C1CCC(C2C=[NH+]c3ccccc32)N1Cc1ccccc1
InChIInChI=1S/C19H18N2O/c22-19-11-10-18(21(19)13-14-6-2-1-3-7-14)16-12-20-17-9-5-4-8-15(16)17/h1-9,12,16,18H,10-11,13H2/p+1
InChIKeyNFEGKAKJAMQBMR-UHFFFAOYSA-O
XLogP1.76
TPSA34.28 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-benzyl-5-(3H-indol-1-ium-3-yl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-1-benzyl-5-[(2R)-oxiran-2-yl]pyrrolidin-2-one
CID 18641408
1-benzyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
CID 11264715
5-(2-aminoethyl)-1-benzylpyrrolidin-2-one
CID 53415041
(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 10442943
(5S)-1-benzyl-5-tert-butylpyrrolidin-2-one
CID 141337970
(3aS,7aS)-1-benzyl-4-(cyclopropylmethyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97460772
1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 115031392
(1S,4R,8aR)-2-benzyl-1,4-diphenyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 15496859
2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
CID 86091539
1-benzyl-5-[(dimethylamino)methyl]pyrrolidin-2-one
CID 14129470
(5S)-1-benzyl-5-(1,1-dihydroxyethyl)pyrrolidin-2-one
CID 22845684
(3aR,7aR)-1-benzyl-4-methyl-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97460695

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(3H-indol-1-ium-3-yl)pyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-(3H-indol-1-ium-3-yl)pyrrolidin-2-one (CID 134942203) is 1-benzyl-5-(3H-indol-1-ium-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-(3H-indol-1-ium-3-yl)pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-(3H-indol-1-ium-3-yl)pyrrolidin-2-one is O=C1CCC(C2C=[NH+]c3ccccc32)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(3H-indol-1-ium-3-yl)pyrrolidin-2-one?
The InChIKey is NFEGKAKJAMQBMR-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H18N2O/c22-19-11-10-18(21(19)13-14-6-2-1-3-7-14)16-12-20-17-9-5-4-8-15(16)17/h1-9,12,16,18H,10-11,13H2/p+1.
What are the key properties of 1-benzyl-5-(3H-indol-1-ium-3-yl)pyrrolidin-2-one?
1-benzyl-5-(3H-indol-1-ium-3-yl)pyrrolidin-2-one has a molecular weight of 291.37 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(3H-indol-1-ium-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 134942203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).