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

C20H21NO2 — CID 71038902

IUPAC2-benzyl-6-(4-hydroxyphenyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one
SMILESO=C1CC(c2ccc(O)cc2)C2CN(Cc3ccccc3)CC12
InChIInChI=1S/C20H21NO2/c22-16-8-6-15(7-9-16)17-10-20(23)19-13-21(12-18(17)19)11-14-4-2-1-3-5-14/h1-9,17-19,22H,10-13H2
InChIKeyYEWCOVVUELGMET-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.20
Rot. Bonds3

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

2-benzyl-6-(4-hydroxyphenyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one (PubChem CID 71038902) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-benzyl-6-(4-hydroxyphenyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one.

Molecular Properties

Compound Name2-benzyl-6-(4-hydroxyphenyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one
PubChem CID71038902
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name2-benzyl-6-(4-hydroxyphenyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one
SMILESO=C1CC(c2ccc(O)cc2)C2CN(Cc3ccccc3)CC12
InChIInChI=1S/C20H21NO2/c22-16-8-6-15(7-9-16)17-10-20(23)19-13-21(12-18(17)19)11-14-4-2-1-3-5-14/h1-9,17-19,22H,10-13H2
InChIKeyYEWCOVVUELGMET-UHFFFAOYSA-N
XLogP3.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
1-benzyl-4-(4-hydroxyphenyl)piperidine-3,5-diol
CID 22127210
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
1-[4-[(3R,4S)-1-benzyl-4-hydroxypyrrolidin-3-yl]phenyl]ethanone
CID 134951863
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
CID 12922299
2-[(3S,4R)-1-benzyl-4-(2-hydroxyphenyl)pyrrolidin-3-yl]phenol
CID 70345589
3-benzyl-6-phenyl-3-azabicyclo[3.2.0]heptane
CID 19963621
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxamide
CID 91662836
4-[[(3aR,6aS)-2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methylsulfanyl]phenol
CID 126687343
1,3-bis[(3R,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]urea
CID 102127410
(3S,4S)-1-benzyl-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 124708767
1-benzyl-3-methyl-4-phenylpyrrolidine
CID 3522572

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(4-hydroxyphenyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one?
The IUPAC name of 2-benzyl-6-(4-hydroxyphenyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one (CID 71038902) is 2-benzyl-6-(4-hydroxyphenyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one.
What is the SMILES notation for 2-benzyl-6-(4-hydroxyphenyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one?
The canonical SMILES for 2-benzyl-6-(4-hydroxyphenyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one is O=C1CC(c2ccc(O)cc2)C2CN(Cc3ccccc3)CC12.
What is the InChIKey of 2-benzyl-6-(4-hydroxyphenyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one?
The InChIKey is YEWCOVVUELGMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c22-16-8-6-15(7-9-16)17-10-20(23)19-13-21(12-18(17)19)11-14-4-2-1-3-5-14/h1-9,17-19,22H,10-13H2.
What are the key properties of 2-benzyl-6-(4-hydroxyphenyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one?
2-benzyl-6-(4-hydroxyphenyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one has a molecular weight of 307.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(4-hydroxyphenyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one is sourced from PubChem (CID 71038902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).