2-(1,2-dimethylindol-3-yl)-3,4-dimethyl-1-(2-phenylethyl)-2H-pyrrol-5-one

C24H26N2O — CID 17020038

IUPAC2-(1,2-dimethylindol-3-yl)-3,4-dimethyl-1-(2-phenylethyl)-2H-pyrrol-5-one
SMILESCC1=C(C)C(c2c(C)n(C)c3ccccc23)N(CCc2ccccc2)C1=O
InChIInChI=1S/C24H26N2O/c1-16-17(2)24(27)26(15-14-19-10-6-5-7-11-19)23(16)22-18(3)25(4)21-13-9-8-12-20(21)22/h5-13,23H,14-15H2,1-4H3
InChIKeyOGLHSJVOHHGWMA-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.95
Rot. Bonds4

About 2-(1,2-dimethylindol-3-yl)-3,4-dimethyl-1-(2-phenylethyl)-2H-pyrrol-5-one

2-(1,2-dimethylindol-3-yl)-3,4-dimethyl-1-(2-phenylethyl)-2H-pyrrol-5-one (PubChem CID 17020038) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-3-yl)-3,4-dimethyl-1-(2-phenylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(1,2-dimethylindol-3-yl)-3,4-dimethyl-1-(2-phenylethyl)-2H-pyrrol-5-one
PubChem CID17020038
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name2-(1,2-dimethylindol-3-yl)-3,4-dimethyl-1-(2-phenylethyl)-2H-pyrrol-5-one
SMILESCC1=C(C)C(c2c(C)n(C)c3ccccc23)N(CCc2ccccc2)C1=O
InChIInChI=1S/C24H26N2O/c1-16-17(2)24(27)26(15-14-19-10-6-5-7-11-19)23(16)22-18(3)25(4)21-13-9-8-12-20(21)22/h5-13,23H,14-15H2,1-4H3
InChIKeyOGLHSJVOHHGWMA-UHFFFAOYSA-N
XLogP4.95
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(3R)-2-benzyl-3-(1,2-dimethylindol-3-yl)-3H-isoindol-1-one
CID 41031701
(2R)-3,4-dimethyl-2-[1-methyl-2-(4-methylphenyl)indol-3-yl]-1-propyl-2H-pyrrol-5-one
CID 7345881
1-heptyl-3,4-dimethyl-2-(1-methyl-2-phenylindol-3-yl)-2H-pyrrol-5-one
CID 3894466
(3S)-2-butyl-3-(1,2-dimethylindol-3-yl)-3H-isoindol-1-one
CID 41031698
(3R)-3-[2-(2,4-dichlorophenyl)-1-methylindol-3-yl]-2-(2-phenylethyl)-3H-isoindol-1-one
CID 41031811
(3R)-2-[2-(4-chlorophenyl)ethyl]-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3H-isoindol-1-one
CID 41168726
(2S)-3,4-dimethyl-2-[1-methyl-2-(4-methylphenyl)indol-3-yl]-1-[[(2S)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
CID 40599868
(2R)-3,4-dimethyl-2-[1-methyl-2-(4-methylphenyl)indol-3-yl]-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
CID 40599871
(3S)-3-[2-(2,5-dimethoxyphenyl)-1-methylindol-3-yl]-2-(2-phenylethyl)-3H-isoindol-1-one
CID 41031770
2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-3-methyl-N-(4-phenylbutan-2-yl)pentanamide
CID 5184957
methyl 2-[(1S)-1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetate
CID 7346320
3-(1,2-dimethylindol-3-yl)-2-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one
CID 5240338

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-3-yl)-3,4-dimethyl-1-(2-phenylethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(1,2-dimethylindol-3-yl)-3,4-dimethyl-1-(2-phenylethyl)-2H-pyrrol-5-one (CID 17020038) is 2-(1,2-dimethylindol-3-yl)-3,4-dimethyl-1-(2-phenylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(1,2-dimethylindol-3-yl)-3,4-dimethyl-1-(2-phenylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(1,2-dimethylindol-3-yl)-3,4-dimethyl-1-(2-phenylethyl)-2H-pyrrol-5-one is CC1=C(C)C(c2c(C)n(C)c3ccccc23)N(CCc2ccccc2)C1=O.
What is the InChIKey of 2-(1,2-dimethylindol-3-yl)-3,4-dimethyl-1-(2-phenylethyl)-2H-pyrrol-5-one?
The InChIKey is OGLHSJVOHHGWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-16-17(2)24(27)26(15-14-19-10-6-5-7-11-19)23(16)22-18(3)25(4)21-13-9-8-12-20(21)22/h5-13,23H,14-15H2,1-4H3.
What are the key properties of 2-(1,2-dimethylindol-3-yl)-3,4-dimethyl-1-(2-phenylethyl)-2H-pyrrol-5-one?
2-(1,2-dimethylindol-3-yl)-3,4-dimethyl-1-(2-phenylethyl)-2H-pyrrol-5-one has a molecular weight of 358.49 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-3-yl)-3,4-dimethyl-1-(2-phenylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 17020038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).