1,1-diethyl-3-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-8bH-indeno[2,1-b]pyrrol-2-one

C30H31NO2 — CID 53343826

IUPAC1,1-diethyl-3-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-8bH-indeno[2,1-b]pyrrol-2-one
SMILESCCC1(CC)C(=O)N(c2ccc(OC)cc2)C2=C(c3ccc(C)cc3)c3cc(C)ccc3C21
InChIInChI=1S/C30H31NO2/c1-6-30(7-2)27-24-17-10-20(4)18-25(24)26(21-11-8-19(3)9-12-21)28(27)31(29(30)32)22-13-15-23(33-5)16-14-22/h8-18,27H,6-7H2,1-5H3
InChIKeyLLSCAJWGRXJETF-UHFFFAOYSA-N
MW437.58 g/mol
LogP7.02
Rot. Bonds5

About 1,1-diethyl-3-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-8bH-indeno[2,1-b]pyrrol-2-one

1,1-diethyl-3-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-8bH-indeno[2,1-b]pyrrol-2-one (PubChem CID 53343826) has the molecular formula C30H31NO2 and a molecular weight of 437.58 g/mol. Its IUPAC name is 1,1-diethyl-3-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-8bH-indeno[2,1-b]pyrrol-2-one.

Molecular Properties

Compound Name1,1-diethyl-3-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-8bH-indeno[2,1-b]pyrrol-2-one
PubChem CID53343826
Molecular FormulaC30H31NO2
Molecular Weight437.58 g/mol
Exact Mass437.24
IUPAC Name1,1-diethyl-3-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-8bH-indeno[2,1-b]pyrrol-2-one
SMILESCCC1(CC)C(=O)N(c2ccc(OC)cc2)C2=C(c3ccc(C)cc3)c3cc(C)ccc3C21
InChIInChI=1S/C30H31NO2/c1-6-30(7-2)27-24-17-10-20(4)18-25(24)26(21-11-8-19(3)9-12-21)28(27)31(29(30)32)22-13-15-23(33-5)16-14-22/h8-18,27H,6-7H2,1-5H3
InChIKeyLLSCAJWGRXJETF-UHFFFAOYSA-N
XLogP7.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.58
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110580996
17-(4-methoxyphenyl)-4-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaene-16,18-dione
CID 71675518
3-chloro-1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584236
3-(4-ethylpiperazin-1-yl)-4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110557862
1-cyclopropyl-2-(4-methoxyphenyl)-4-methylbenzene
CID 141433382
3-(4-methoxyphenyl)-1-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110557855
2-[4-[5-[4-[2-(4-methoxyphenyl)butan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]phenyl]-5-methylisoindole-1,3-dione
CID 170205146
3-(4-ethoxyphenyl)-4-(4-methoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110588348
3-(4-methoxyphenyl)-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110557863
2-[4-(1-hydroxy-5-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-5-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]isoindole-1,3-dione
CID 139378672
3-[9,9-dimethyl-10-(4-methylphenyl)acridin-2-yl]-6-[10-(4-methoxyphenyl)-9,9-dimethylacridin-2-yl]furo[3,2-b]furan-2,5-dione
CID 118655432
1-methoxy-4-methylbenzene;propane
CID 142064987

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-8bH-indeno[2,1-b]pyrrol-2-one?
The IUPAC name of 1,1-diethyl-3-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-8bH-indeno[2,1-b]pyrrol-2-one (CID 53343826) is 1,1-diethyl-3-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-8bH-indeno[2,1-b]pyrrol-2-one.
What is the SMILES notation for 1,1-diethyl-3-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-8bH-indeno[2,1-b]pyrrol-2-one?
The canonical SMILES for 1,1-diethyl-3-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-8bH-indeno[2,1-b]pyrrol-2-one is CCC1(CC)C(=O)N(c2ccc(OC)cc2)C2=C(c3ccc(C)cc3)c3cc(C)ccc3C21.
What is the InChIKey of 1,1-diethyl-3-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-8bH-indeno[2,1-b]pyrrol-2-one?
The InChIKey is LLSCAJWGRXJETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO2/c1-6-30(7-2)27-24-17-10-20(4)18-25(24)26(21-11-8-19(3)9-12-21)28(27)31(29(30)32)22-13-15-23(33-5)16-14-22/h8-18,27H,6-7H2,1-5H3.
What are the key properties of 1,1-diethyl-3-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-8bH-indeno[2,1-b]pyrrol-2-one?
1,1-diethyl-3-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-8bH-indeno[2,1-b]pyrrol-2-one has a molecular weight of 437.58 g/mol, XLogP of 7.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-8bH-indeno[2,1-b]pyrrol-2-one is sourced from PubChem (CID 53343826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).