2-benzyl-6-(4-methylphenyl)-5-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one

C27H27NO — CID 58017660

IUPAC2-benzyl-6-(4-methylphenyl)-5-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one
SMILESCc1ccc(C2C(c3ccccc3)C(=O)C3CN(Cc4ccccc4)CC32)cc1
InChIInChI=1S/C27H27NO/c1-19-12-14-22(15-13-19)25-23-17-28(16-20-8-4-2-5-9-20)18-24(23)27(29)26(25)21-10-6-3-7-11-21/h2-15,23-26H,16-18H2,1H3
InChIKeyXLZAFLWOGXYHAU-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.19
Rot. Bonds4

About 2-benzyl-6-(4-methylphenyl)-5-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one

2-benzyl-6-(4-methylphenyl)-5-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one (PubChem CID 58017660) has the molecular formula C27H27NO and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-benzyl-6-(4-methylphenyl)-5-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one.

Molecular Properties

Compound Name2-benzyl-6-(4-methylphenyl)-5-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one
PubChem CID58017660
Molecular FormulaC27H27NO
Molecular Weight381.52 g/mol
Exact Mass381.21
IUPAC Name2-benzyl-6-(4-methylphenyl)-5-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one
SMILESCc1ccc(C2C(c3ccccc3)C(=O)C3CN(Cc4ccccc4)CC32)cc1
InChIInChI=1S/C27H27NO/c1-19-12-14-22(15-13-19)25-23-17-28(16-20-8-4-2-5-9-20)18-24(23)27(29)26(25)21-10-6-3-7-11-21/h2-15,23-26H,16-18H2,1H3
InChIKeyXLZAFLWOGXYHAU-UHFFFAOYSA-N
XLogP5.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-6-(4-methylphenyl)-5-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one with MolForge

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Related Compounds

2-benzyl-6-butyl-5-(4-fluorophenyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one
CID 58017667
(3S,4S)-1-benzyl-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 124708767
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
1-benzyl-3,5-dimethyl-4-phenylpiperidine
CID 141122584
3-benzyl-6-phenyl-3-azabicyclo[3.2.0]heptane
CID 19963621
1-benzyl-3-methyl-4-phenylpyrrolidine
CID 3522572
(4S)-1-benzyl-3-methyl-4-phenylpyrrolidine
CID 71104653
(3S,4R)-1-benzyl-N-methyl-4-phenylpyrrolidin-3-amine
CID 59840122
(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one
CID 56828035
1-[4-[(3R,4S)-1-benzyl-4-hydroxypyrrolidin-3-yl]phenyl]ethanone
CID 134951863
2-benzyl-6-(4-hydroxyphenyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one
CID 71038902

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(4-methylphenyl)-5-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one?
The IUPAC name of 2-benzyl-6-(4-methylphenyl)-5-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one (CID 58017660) is 2-benzyl-6-(4-methylphenyl)-5-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one.
What is the SMILES notation for 2-benzyl-6-(4-methylphenyl)-5-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one?
The canonical SMILES for 2-benzyl-6-(4-methylphenyl)-5-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one is Cc1ccc(C2C(c3ccccc3)C(=O)C3CN(Cc4ccccc4)CC32)cc1.
What is the InChIKey of 2-benzyl-6-(4-methylphenyl)-5-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one?
The InChIKey is XLZAFLWOGXYHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO/c1-19-12-14-22(15-13-19)25-23-17-28(16-20-8-4-2-5-9-20)18-24(23)27(29)26(25)21-10-6-3-7-11-21/h2-15,23-26H,16-18H2,1H3.
What are the key properties of 2-benzyl-6-(4-methylphenyl)-5-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one?
2-benzyl-6-(4-methylphenyl)-5-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one has a molecular weight of 381.52 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(4-methylphenyl)-5-phenyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one is sourced from PubChem (CID 58017660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).