4-[(3aR,6aS)-5-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carbonyl]oxolan-2-one

C19H22N2O5 — CID 154856024

IUPAC4-[(3aR,6aS)-5-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carbonyl]oxolan-2-one
SMILESO=C1CC(C(=O)N2C[C@H]3CN(C(=O)c4occ5c4CCC5)C[C@H]3C2)CO1
InChIInChI=1S/C19H22N2O5/c22-16-4-12(10-25-16)18(23)20-5-13-7-21(8-14(13)6-20)19(24)17-15-3-1-2-11(15)9-26-17/h9,12-14H,1-8,10H2/t12?,13-,14+
InChIKeyKBJGIOYXZJGSKD-AGUYFDCRSA-N
MW358.39 g/mol
LogP0.86
Rot. Bonds2

About 4-[(3aR,6aS)-5-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carbonyl]oxolan-2-one

4-[(3aR,6aS)-5-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carbonyl]oxolan-2-one (PubChem CID 154856024) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 4-[(3aR,6aS)-5-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carbonyl]oxolan-2-one.

Molecular Properties

Compound Name4-[(3aR,6aS)-5-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carbonyl]oxolan-2-one
PubChem CID154856024
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name4-[(3aR,6aS)-5-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carbonyl]oxolan-2-one
SMILESO=C1CC(C(=O)N2C[C@H]3CN(C(=O)c4occ5c4CCC5)C[C@H]3C2)CO1
InChIInChI=1S/C19H22N2O5/c22-16-4-12(10-25-16)18(23)20-5-13-7-21(8-14(13)6-20)19(24)17-15-3-1-2-11(15)9-26-17/h9,12-14H,1-8,10H2/t12?,13-,14+
InChIKeyKBJGIOYXZJGSKD-AGUYFDCRSA-N
XLogP0.86
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(3aR,6aS)-5-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carbonyl]oxolan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(3aR,6aS)-5-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carbonyl]oxolan-2-one?
The IUPAC name of 4-[(3aR,6aS)-5-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carbonyl]oxolan-2-one (CID 154856024) is 4-[(3aR,6aS)-5-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carbonyl]oxolan-2-one.
What is the SMILES notation for 4-[(3aR,6aS)-5-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carbonyl]oxolan-2-one?
The canonical SMILES for 4-[(3aR,6aS)-5-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carbonyl]oxolan-2-one is O=C1CC(C(=O)N2C[C@H]3CN(C(=O)c4occ5c4CCC5)C[C@H]3C2)CO1.
What is the InChIKey of 4-[(3aR,6aS)-5-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carbonyl]oxolan-2-one?
The InChIKey is KBJGIOYXZJGSKD-AGUYFDCRSA-N. The full InChI is InChI=1S/C19H22N2O5/c22-16-4-12(10-25-16)18(23)20-5-13-7-21(8-14(13)6-20)19(24)17-15-3-1-2-11(15)9-26-17/h9,12-14H,1-8,10H2/t12?,13-,14+.
What are the key properties of 4-[(3aR,6aS)-5-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carbonyl]oxolan-2-one?
4-[(3aR,6aS)-5-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carbonyl]oxolan-2-one has a molecular weight of 358.39 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3aR,6aS)-5-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carbonyl]oxolan-2-one is sourced from PubChem (CID 154856024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).