3-[2-oxo-2-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)ethyl]-3H-2-benzofuran-1-one

C23H23NO3 — CID 154836298

IUPAC3-[2-oxo-2-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)ethyl]-3H-2-benzofuran-1-one
SMILESO=C1OC(CC(=O)N2CC(c3ccccc3)C3CCCC32)c2ccccc21
InChIInChI=1S/C23H23NO3/c25-22(13-21-17-9-4-5-10-18(17)23(26)27-21)24-14-19(15-7-2-1-3-8-15)16-11-6-12-20(16)24/h1-5,7-10,16,19-21H,6,11-14H2
InChIKeyARUHZIPOZOZFME-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.08
Rot. Bonds3

About 3-[2-oxo-2-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)ethyl]-3H-2-benzofuran-1-one

3-[2-oxo-2-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)ethyl]-3H-2-benzofuran-1-one (PubChem CID 154836298) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 3-[2-oxo-2-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)ethyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[2-oxo-2-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)ethyl]-3H-2-benzofuran-1-one
PubChem CID154836298
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name3-[2-oxo-2-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)ethyl]-3H-2-benzofuran-1-one
SMILESO=C1OC(CC(=O)N2CC(c3ccccc3)C3CCCC32)c2ccccc21
InChIInChI=1S/C23H23NO3/c25-22(13-21-17-9-4-5-10-18(17)23(26)27-21)24-14-19(15-7-2-1-3-8-15)16-11-6-12-20(16)24/h1-5,7-10,16,19-21H,6,11-14H2
InChIKeyARUHZIPOZOZFME-UHFFFAOYSA-N
XLogP4.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)ethyl]-3H-2-benzofuran-1-one?
The IUPAC name of 3-[2-oxo-2-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)ethyl]-3H-2-benzofuran-1-one (CID 154836298) is 3-[2-oxo-2-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)ethyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-[2-oxo-2-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)ethyl]-3H-2-benzofuran-1-one?
The canonical SMILES for 3-[2-oxo-2-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)ethyl]-3H-2-benzofuran-1-one is O=C1OC(CC(=O)N2CC(c3ccccc3)C3CCCC32)c2ccccc21.
What is the InChIKey of 3-[2-oxo-2-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)ethyl]-3H-2-benzofuran-1-one?
The InChIKey is ARUHZIPOZOZFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c25-22(13-21-17-9-4-5-10-18(17)23(26)27-21)24-14-19(15-7-2-1-3-8-15)16-11-6-12-20(16)24/h1-5,7-10,16,19-21H,6,11-14H2.
What are the key properties of 3-[2-oxo-2-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)ethyl]-3H-2-benzofuran-1-one?
3-[2-oxo-2-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)ethyl]-3H-2-benzofuran-1-one has a molecular weight of 361.44 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)ethyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 154836298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).