(2R)-3,4-dimethyl-2-[1-methyl-2-(4-methylphenyl)indol-3-yl]-1-propyl-2H-pyrrol-5-one

C25H28N2O — CID 7345881

IUPAC(2R)-3,4-dimethyl-2-[1-methyl-2-(4-methylphenyl)indol-3-yl]-1-propyl-2H-pyrrol-5-one
SMILESCCCN1C(=O)C(C)=C(C)[C@@H]1c1c(-c2ccc(C)cc2)n(C)c2ccccc12
InChIInChI=1S/C25H28N2O/c1-6-15-27-23(17(3)18(4)25(27)28)22-20-9-7-8-10-21(20)26(5)24(22)19-13-11-16(2)12-14-19/h7-14,23H,6,15H2,1-5H3/t23-/m1/s1
InChIKeyDRZSEQXYUCDPEC-HSZRJFAPSA-N
MW372.51 g/mol
LogP5.78
Rot. Bonds4

About (2R)-3,4-dimethyl-2-[1-methyl-2-(4-methylphenyl)indol-3-yl]-1-propyl-2H-pyrrol-5-one

(2R)-3,4-dimethyl-2-[1-methyl-2-(4-methylphenyl)indol-3-yl]-1-propyl-2H-pyrrol-5-one (PubChem CID 7345881) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is (2R)-3,4-dimethyl-2-[1-methyl-2-(4-methylphenyl)indol-3-yl]-1-propyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-3,4-dimethyl-2-[1-methyl-2-(4-methylphenyl)indol-3-yl]-1-propyl-2H-pyrrol-5-one
PubChem CID7345881
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name(2R)-3,4-dimethyl-2-[1-methyl-2-(4-methylphenyl)indol-3-yl]-1-propyl-2H-pyrrol-5-one
SMILESCCCN1C(=O)C(C)=C(C)[C@@H]1c1c(-c2ccc(C)cc2)n(C)c2ccccc12
InChIInChI=1S/C25H28N2O/c1-6-15-27-23(17(3)18(4)25(27)28)22-20-9-7-8-10-21(20)26(5)24(22)19-13-11-16(2)12-14-19/h7-14,23H,6,15H2,1-5H3/t23-/m1/s1
InChIKeyDRZSEQXYUCDPEC-HSZRJFAPSA-N
XLogP5.78
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-heptyl-3,4-dimethyl-2-(1-methyl-2-phenylindol-3-yl)-2H-pyrrol-5-one
CID 3894466
(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-(1-methyl-2-phenylindol-3-yl)-2-propyl-3H-isoindol-1-one
CID 41066022
2-(3-butoxypropyl)-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3H-isoindol-1-one
CID 5196931
(3R)-2-[2-(4-chlorophenyl)ethyl]-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3H-isoindol-1-one
CID 41168726
2-(1,2-dimethylindol-3-yl)-3,4-dimethyl-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 17020038
2-(4-fluorophenyl)-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-4,5,6,7-tetrahydro-3H-isoindol-1-one
CID 3719712
2-(4-chlorophenyl)-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3H-isoindol-1-one
CID 5237837
3-[2-(4-chlorophenyl)-1-methylindol-3-yl]-2-(2-hydroxyethyl)-3H-isoindol-1-one
CID 70680899
N-(3-methylbutyl)-2-[1-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3-oxo-1H-isoindol-2-yl]acetamide
CID 3602254
2-(2,3-dimethylcyclohexyl)-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3H-isoindol-1-one
CID 5025800

Frequently Asked Questions

What is the IUPAC name of (2R)-3,4-dimethyl-2-[1-methyl-2-(4-methylphenyl)indol-3-yl]-1-propyl-2H-pyrrol-5-one?
The IUPAC name of (2R)-3,4-dimethyl-2-[1-methyl-2-(4-methylphenyl)indol-3-yl]-1-propyl-2H-pyrrol-5-one (CID 7345881) is (2R)-3,4-dimethyl-2-[1-methyl-2-(4-methylphenyl)indol-3-yl]-1-propyl-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-3,4-dimethyl-2-[1-methyl-2-(4-methylphenyl)indol-3-yl]-1-propyl-2H-pyrrol-5-one?
The canonical SMILES for (2R)-3,4-dimethyl-2-[1-methyl-2-(4-methylphenyl)indol-3-yl]-1-propyl-2H-pyrrol-5-one is CCCN1C(=O)C(C)=C(C)[C@@H]1c1c(-c2ccc(C)cc2)n(C)c2ccccc12.
What is the InChIKey of (2R)-3,4-dimethyl-2-[1-methyl-2-(4-methylphenyl)indol-3-yl]-1-propyl-2H-pyrrol-5-one?
The InChIKey is DRZSEQXYUCDPEC-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H28N2O/c1-6-15-27-23(17(3)18(4)25(27)28)22-20-9-7-8-10-21(20)26(5)24(22)19-13-11-16(2)12-14-19/h7-14,23H,6,15H2,1-5H3/t23-/m1/s1.
What are the key properties of (2R)-3,4-dimethyl-2-[1-methyl-2-(4-methylphenyl)indol-3-yl]-1-propyl-2H-pyrrol-5-one?
(2R)-3,4-dimethyl-2-[1-methyl-2-(4-methylphenyl)indol-3-yl]-1-propyl-2H-pyrrol-5-one has a molecular weight of 372.51 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,4-dimethyl-2-[1-methyl-2-(4-methylphenyl)indol-3-yl]-1-propyl-2H-pyrrol-5-one is sourced from PubChem (CID 7345881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).