2-benzoyl-5-phenylmethoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one

C21H21NO3 — CID 18372275

IUPAC2-benzoyl-5-phenylmethoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one
SMILESO=C(c1ccccc1)N1CC2CC(OCc3ccccc3)CC2C1=O
InChIInChI=1S/C21H21NO3/c23-20(16-9-5-2-6-10-16)22-13-17-11-18(12-19(17)21(22)24)25-14-15-7-3-1-4-8-15/h1-10,17-19H,11-14H2
InChIKeyUQNYGPVONNAZOT-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.28
Rot. Bonds4

About 2-benzoyl-5-phenylmethoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one

2-benzoyl-5-phenylmethoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one (PubChem CID 18372275) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-benzoyl-5-phenylmethoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one.

Molecular Properties

Compound Name2-benzoyl-5-phenylmethoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one
PubChem CID18372275
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name2-benzoyl-5-phenylmethoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one
SMILESO=C(c1ccccc1)N1CC2CC(OCc3ccccc3)CC2C1=O
InChIInChI=1S/C21H21NO3/c23-20(16-9-5-2-6-10-16)22-13-17-11-18(12-19(17)21(22)24)25-14-15-7-3-1-4-8-15/h1-10,17-19H,11-14H2
InChIKeyUQNYGPVONNAZOT-UHFFFAOYSA-N
XLogP3.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-benzoyl-5-phenylmethoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-5-phenylmethoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one?
The IUPAC name of 2-benzoyl-5-phenylmethoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one (CID 18372275) is 2-benzoyl-5-phenylmethoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one.
What is the SMILES notation for 2-benzoyl-5-phenylmethoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one?
The canonical SMILES for 2-benzoyl-5-phenylmethoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one is O=C(c1ccccc1)N1CC2CC(OCc3ccccc3)CC2C1=O.
What is the InChIKey of 2-benzoyl-5-phenylmethoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one?
The InChIKey is UQNYGPVONNAZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c23-20(16-9-5-2-6-10-16)22-13-17-11-18(12-19(17)21(22)24)25-14-15-7-3-1-4-8-15/h1-10,17-19H,11-14H2.
What are the key properties of 2-benzoyl-5-phenylmethoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one?
2-benzoyl-5-phenylmethoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one has a molecular weight of 335.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-5-phenylmethoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one is sourced from PubChem (CID 18372275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).