5-benzyl-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one

C14H13NO — CID 141214813

IUPAC5-benzyl-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one
SMILESO=C1c2cc[nH]c2CC1Cc1ccccc1
InChIInChI=1S/C14H13NO/c16-14-11(8-10-4-2-1-3-5-10)9-13-12(14)6-7-15-13/h1-7,11,15H,8-9H2
InChIKeyOWJAKBXOYNYXAQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.61
Rot. Bonds2

About 5-benzyl-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one

5-benzyl-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one (PubChem CID 141214813) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-benzyl-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one.

Molecular Properties

Compound Name5-benzyl-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one
PubChem CID141214813
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name5-benzyl-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one
SMILESO=C1c2cc[nH]c2CC1Cc1ccccc1
InChIInChI=1S/C14H13NO/c16-14-11(8-10-4-2-1-3-5-10)9-13-12(14)6-7-15-13/h1-7,11,15H,8-9H2
InChIKeyOWJAKBXOYNYXAQ-UHFFFAOYSA-N
XLogP2.61
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-benzyl-6-chloro-2,3-dihydroinden-1-one
CID 125481885
2-benzyl-6-hydroxy-2,3-dihydroinden-1-one
CID 19600781
5-benzyl-1-tert-butyl-2-methyl-5,6-dihydrocyclopenta[b]pyrrol-4-one
CID 123750071
2-benzyl-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 10902071
4-benzyl-3-methylcyclopent-2-en-1-one
CID 130058504
2-[(4-methylphenyl)methyl]-2,3-dihydroinden-1-one
CID 15544000
2-[(4-ethylphenyl)methyl]-2,3-dihydroinden-1-one
CID 15544001
3-benzyl-6-hydroxy-2,3-dihydro-1H-quinolin-4-one
CID 19600633
5-benzyl-3-ethoxy-2-methylcyclopent-2-en-1-one
CID 11481629
2-[(4-tert-butylphenyl)methyl]-2,3-dihydroinden-1-one
CID 63399290
3-benzyl-1-ethylpyrrolidine-2,5-dione
CID 3063281
4-benzyl-5-oxopyrrolidine-2-carboxylic acid
CID 14504092

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one?
The IUPAC name of 5-benzyl-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one (CID 141214813) is 5-benzyl-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one.
What is the SMILES notation for 5-benzyl-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one?
The canonical SMILES for 5-benzyl-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one is O=C1c2cc[nH]c2CC1Cc1ccccc1.
What is the InChIKey of 5-benzyl-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one?
The InChIKey is OWJAKBXOYNYXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c16-14-11(8-10-4-2-1-3-5-10)9-13-12(14)6-7-15-13/h1-7,11,15H,8-9H2.
What are the key properties of 5-benzyl-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one?
5-benzyl-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one has a molecular weight of 211.26 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5,6-dihydro-1H-cyclopenta[b]pyrrol-4-one is sourced from PubChem (CID 141214813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).