3-(4-methoxyphenyl)-1,1-dimethyl-4-phenyl-4H-indeno[2,1-b]pyrrol-2-one

C26H23NO2 — CID 53343432

IUPAC3-(4-methoxyphenyl)-1,1-dimethyl-4-phenyl-4H-indeno[2,1-b]pyrrol-2-one
SMILESCOc1ccc(N2C(=O)C(C)(C)C3=C2C(c2ccccc2)c2ccccc23)cc1
InChIInChI=1S/C26H23NO2/c1-26(2)23-21-12-8-7-11-20(21)22(17-9-5-4-6-10-17)24(23)27(25(26)28)18-13-15-19(29-3)16-14-18/h4-16,22H,1-3H3
InChIKeyHZYNUINAWWZMOY-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.62
Rot. Bonds3

About 3-(4-methoxyphenyl)-1,1-dimethyl-4-phenyl-4H-indeno[2,1-b]pyrrol-2-one

3-(4-methoxyphenyl)-1,1-dimethyl-4-phenyl-4H-indeno[2,1-b]pyrrol-2-one (PubChem CID 53343432) has the molecular formula C26H23NO2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1,1-dimethyl-4-phenyl-4H-indeno[2,1-b]pyrrol-2-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1,1-dimethyl-4-phenyl-4H-indeno[2,1-b]pyrrol-2-one
PubChem CID53343432
Molecular FormulaC26H23NO2
Molecular Weight381.48 g/mol
Exact Mass381.17
IUPAC Name3-(4-methoxyphenyl)-1,1-dimethyl-4-phenyl-4H-indeno[2,1-b]pyrrol-2-one
SMILESCOc1ccc(N2C(=O)C(C)(C)C3=C2C(c2ccccc2)c2ccccc23)cc1
InChIInChI=1S/C26H23NO2/c1-26(2)23-21-12-8-7-11-20(21)22(17-9-5-4-6-10-17)24(23)27(25(26)28)18-13-15-19(29-3)16-14-18/h4-16,22H,1-3H3
InChIKeyHZYNUINAWWZMOY-UHFFFAOYSA-N
XLogP5.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,4R,7R,7aR)-2-(4-methoxyphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 129428100
2-(4-methoxyphenyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid
CID 118560901
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
17-(4-methoxyphenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 3097565
(3S,3aR,6aR)-5-(4-methoxyphenyl)-3a-methyl-2,3-diphenyl-3,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7420456
(3aR,4R,7R,7aR)-2-(4-methoxyphenyl)-4,7-diphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124775903
3-chloro-2-(4-methoxyphenyl)-1-phenyl-1H-indene
CID 162400228
1,3-bis(4-methoxyphenyl)-5,5-diphenylimidazolidine-2,4-dione
CID 135011161
sodium (3R,4S)-2-(4-methoxyphenyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylate
CID 129160423
3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one
CID 3688143
4-amino-2-(4-methoxyphenyl)isoindole-1,3-dione
CID 3092594
(3aS,5R,7aR)-2-(4-methoxyphenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 92543020

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1,1-dimethyl-4-phenyl-4H-indeno[2,1-b]pyrrol-2-one?
The IUPAC name of 3-(4-methoxyphenyl)-1,1-dimethyl-4-phenyl-4H-indeno[2,1-b]pyrrol-2-one (CID 53343432) is 3-(4-methoxyphenyl)-1,1-dimethyl-4-phenyl-4H-indeno[2,1-b]pyrrol-2-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1,1-dimethyl-4-phenyl-4H-indeno[2,1-b]pyrrol-2-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1,1-dimethyl-4-phenyl-4H-indeno[2,1-b]pyrrol-2-one is COc1ccc(N2C(=O)C(C)(C)C3=C2C(c2ccccc2)c2ccccc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1,1-dimethyl-4-phenyl-4H-indeno[2,1-b]pyrrol-2-one?
The InChIKey is HZYNUINAWWZMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO2/c1-26(2)23-21-12-8-7-11-20(21)22(17-9-5-4-6-10-17)24(23)27(25(26)28)18-13-15-19(29-3)16-14-18/h4-16,22H,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-1,1-dimethyl-4-phenyl-4H-indeno[2,1-b]pyrrol-2-one?
3-(4-methoxyphenyl)-1,1-dimethyl-4-phenyl-4H-indeno[2,1-b]pyrrol-2-one has a molecular weight of 381.48 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1,1-dimethyl-4-phenyl-4H-indeno[2,1-b]pyrrol-2-one is sourced from PubChem (CID 53343432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).