2-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C15H22N2O3 — CID 114392916

IUPAC2-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC1CC2C(=O)N(C3C(N)C4CCCOC43)C(=O)C2C1
InChIInChI=1S/C15H22N2O3/c1-7-5-9-10(6-7)15(19)17(14(9)18)12-11(16)8-3-2-4-20-13(8)12/h7-13H,2-6,16H2,1H3
InChIKeyLCUOGKUVVXYKDI-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.52
Rot. Bonds1

About 2-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

2-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 114392916) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID114392916
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC1CC2C(=O)N(C3C(N)C4CCCOC43)C(=O)C2C1
InChIInChI=1S/C15H22N2O3/c1-7-5-9-10(6-7)15(19)17(14(9)18)12-11(16)8-3-2-4-20-13(8)12/h7-13H,2-6,16H2,1H3
InChIKeyLCUOGKUVVXYKDI-UHFFFAOYSA-N
XLogP0.52
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 114392916) is 2-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CC1CC2C(=O)N(C3C(N)C4CCCOC43)C(=O)C2C1.
What is the InChIKey of 2-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is LCUOGKUVVXYKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-7-5-9-10(6-7)15(19)17(14(9)18)12-11(16)8-3-2-4-20-13(8)12/h7-13H,2-6,16H2,1H3.
What are the key properties of 2-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 278.35 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 114392916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).