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

C20H20N2O2 — CID 71469809

IUPAC1-[1H-indol-3-yl-(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(C(c2c[nH]c3ccccc23)N2CCCC2=O)cc1
InChIInChI=1S/C20H20N2O2/c1-24-15-10-8-14(9-11-15)20(22-12-4-7-19(22)23)17-13-21-18-6-3-2-5-16(17)18/h2-3,5-6,8-11,13,20-21H,4,7,12H2,1H3
InChIKeyGTDGAXNBAJOGRT-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.89
Rot. Bonds4

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

1-[1H-indol-3-yl-(4-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 71469809) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[1H-indol-3-yl-(4-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1H-indol-3-yl-(4-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID71469809
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-[1H-indol-3-yl-(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(C(c2c[nH]c3ccccc23)N2CCCC2=O)cc1
InChIInChI=1S/C20H20N2O2/c1-24-15-10-8-14(9-11-15)20(22-12-4-7-19(22)23)17-13-21-18-6-3-2-5-16(17)18/h2-3,5-6,8-11,13,20-21H,4,7,12H2,1H3
InChIKeyGTDGAXNBAJOGRT-UHFFFAOYSA-N
XLogP3.89
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[bis(4-methoxyphenyl)methyl]-1H-indole
CID 4102319
[4-[1H-indol-3-yl(pyrrolidin-1-yl)methyl]phenyl] acetate
CID 110453316
2-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 9006913
3-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-1H-indole
CID 102365176
(2R)-N-[(2S)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 52813800
[4-[1H-indol-3-yl(morpholin-4-yl)methyl]phenyl] acetate
CID 110453317
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one
CID 126715490
1-(4-ethylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propan-1-one
CID 42808911
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 58088410
3-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole;dihydrochloride
CID 171285015
3-[2,4-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)butan-2-yl]-1H-indole
CID 25008232
4-[1H-indol-3-yl(piperidin-1-yl)methyl]-N,N-dimethylaniline
CID 110453280

Frequently Asked Questions

What is the IUPAC name of 1-[1H-indol-3-yl-(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[1H-indol-3-yl-(4-methoxyphenyl)methyl]pyrrolidin-2-one (CID 71469809) is 1-[1H-indol-3-yl-(4-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1H-indol-3-yl-(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[1H-indol-3-yl-(4-methoxyphenyl)methyl]pyrrolidin-2-one is COc1ccc(C(c2c[nH]c3ccccc23)N2CCCC2=O)cc1.
What is the InChIKey of 1-[1H-indol-3-yl-(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is GTDGAXNBAJOGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-24-15-10-8-14(9-11-15)20(22-12-4-7-19(22)23)17-13-21-18-6-3-2-5-16(17)18/h2-3,5-6,8-11,13,20-21H,4,7,12H2,1H3.
What are the key properties of 1-[1H-indol-3-yl-(4-methoxyphenyl)methyl]pyrrolidin-2-one?
1-[1H-indol-3-yl-(4-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 320.39 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1H-indol-3-yl-(4-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 71469809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).