5-benzyl-1-tert-butyl-2-methyl-5,6-dihydrocyclopenta[b]pyrrol-4-one

C19H23NO — CID 123750071

IUPAC5-benzyl-1-tert-butyl-2-methyl-5,6-dihydrocyclopenta[b]pyrrol-4-one
SMILESCc1cc2c(n1C(C)(C)C)CC(Cc1ccccc1)C2=O
InChIInChI=1S/C19H23NO/c1-13-10-16-17(20(13)19(2,3)4)12-15(18(16)21)11-14-8-6-5-7-9-14/h5-10,15H,11-12H2,1-4H3
InChIKeySXNBEMULOCYEMR-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.15
Rot. Bonds2

About 5-benzyl-1-tert-butyl-2-methyl-5,6-dihydrocyclopenta[b]pyrrol-4-one

5-benzyl-1-tert-butyl-2-methyl-5,6-dihydrocyclopenta[b]pyrrol-4-one (PubChem CID 123750071) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-benzyl-1-tert-butyl-2-methyl-5,6-dihydrocyclopenta[b]pyrrol-4-one.

Molecular Properties

Compound Name5-benzyl-1-tert-butyl-2-methyl-5,6-dihydrocyclopenta[b]pyrrol-4-one
PubChem CID123750071
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name5-benzyl-1-tert-butyl-2-methyl-5,6-dihydrocyclopenta[b]pyrrol-4-one
SMILESCc1cc2c(n1C(C)(C)C)CC(Cc1ccccc1)C2=O
InChIInChI=1S/C19H23NO/c1-13-10-16-17(20(13)19(2,3)4)12-15(18(16)21)11-14-8-6-5-7-9-14/h5-10,15H,11-12H2,1-4H3
InChIKeySXNBEMULOCYEMR-UHFFFAOYSA-N
XLogP4.15
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzyl-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one
CID 141214813
2-benzyl-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 10902071
4-benzyl-3-methylcyclopent-2-en-1-one
CID 130058504
(2S)-2-benzyl-6-chloro-2,3-dihydroinden-1-one
CID 125481885
2-[(4-tert-butylphenyl)methyl]-2,3-dihydroinden-1-one
CID 63399290
2-benzyl-6-hydroxy-2,3-dihydroinden-1-one
CID 19600781
2-[(4-methylphenyl)methyl]-2,3-dihydroinden-1-one
CID 15544000
5-benzyl-3-ethoxy-2-methylcyclopent-2-en-1-one
CID 11481629
3-benzyl-1-methylpyrrolidine-2,5-dione
CID 3064864
2-[(4-ethylphenyl)methyl]-2,3-dihydroinden-1-one
CID 15544001
1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 59741196
2-benzyl-1,3-ditert-butylimidazolidine-4,5-dione
CID 139184480

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-tert-butyl-2-methyl-5,6-dihydrocyclopenta[b]pyrrol-4-one?
The IUPAC name of 5-benzyl-1-tert-butyl-2-methyl-5,6-dihydrocyclopenta[b]pyrrol-4-one (CID 123750071) is 5-benzyl-1-tert-butyl-2-methyl-5,6-dihydrocyclopenta[b]pyrrol-4-one.
What is the SMILES notation for 5-benzyl-1-tert-butyl-2-methyl-5,6-dihydrocyclopenta[b]pyrrol-4-one?
The canonical SMILES for 5-benzyl-1-tert-butyl-2-methyl-5,6-dihydrocyclopenta[b]pyrrol-4-one is Cc1cc2c(n1C(C)(C)C)CC(Cc1ccccc1)C2=O.
What is the InChIKey of 5-benzyl-1-tert-butyl-2-methyl-5,6-dihydrocyclopenta[b]pyrrol-4-one?
The InChIKey is SXNBEMULOCYEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13-10-16-17(20(13)19(2,3)4)12-15(18(16)21)11-14-8-6-5-7-9-14/h5-10,15H,11-12H2,1-4H3.
What are the key properties of 5-benzyl-1-tert-butyl-2-methyl-5,6-dihydrocyclopenta[b]pyrrol-4-one?
5-benzyl-1-tert-butyl-2-methyl-5,6-dihydrocyclopenta[b]pyrrol-4-one has a molecular weight of 281.40 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-tert-butyl-2-methyl-5,6-dihydrocyclopenta[b]pyrrol-4-one is sourced from PubChem (CID 123750071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).