5-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one

C21H22N2O2 — CID 135014319

IUPAC5-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
SMILESCOc1ccc(CN2C(=O)CCC2(C)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H22N2O2/c1-21(18-13-22-19-6-4-3-5-17(18)19)12-11-20(24)23(21)14-15-7-9-16(25-2)10-8-15/h3-10,13,22H,11-12,14H2,1-2H3
InChIKeyZEKZOSLTYJXZEC-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.21
Rot. Bonds4

About 5-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one

5-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one (PubChem CID 135014319) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
PubChem CID135014319
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name5-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
SMILESCOc1ccc(CN2C(=O)CCC2(C)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H22N2O2/c1-21(18-13-22-19-6-4-3-5-17(18)19)12-11-20(24)23(21)14-15-7-9-16(25-2)10-8-15/h3-10,13,22H,11-12,14H2,1-2H3
InChIKeyZEKZOSLTYJXZEC-UHFFFAOYSA-N
XLogP4.21
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97372701
1-(chloromethyl)-4-methoxybenzene;5,5-dimethylpyrrolidin-2-one;1-[(4-methoxyphenyl)methyl]-5,5-dimethylpyrrolidin-2-one
CID 161221305
5-(1H-benzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one
CID 51361502
(2S)-4-[(4-methoxyphenyl)methyl]-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione
CID 6569064
(3R,4R)-3-benzylsulfanyl-3-(1H-indol-3-yl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 102185380
1-[(4-methoxyphenyl)methyl]-1,7-diazaspiro[3.4]octane-2,8-dione
CID 53474889
5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one
CID 129101346
N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 110357464
1-[(4-methoxyphenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131684831
1-[1H-indol-3-yl-(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 71469809
1-[(4-methoxyphenyl)methyl]-4,6-dihydro-3H-[1,4]diazepino[6,5-b]indole-2,5-dione
CID 118141567
(3R)-3-hydroxy-3-(1H-indol-3-yl)-5-methoxy-1H-indol-2-one
CID 92733868

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one?
The IUPAC name of 5-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one (CID 135014319) is 5-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 5-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 5-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one is COc1ccc(CN2C(=O)CCC2(C)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 5-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one?
The InChIKey is ZEKZOSLTYJXZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-21(18-13-22-19-6-4-3-5-17(18)19)12-11-20(24)23(21)14-15-7-9-16(25-2)10-8-15/h3-10,13,22H,11-12,14H2,1-2H3.
What are the key properties of 5-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one?
5-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one has a molecular weight of 334.42 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 135014319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).