2-(1-hydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C11H17NO3 — CID 103980002

IUPAC2-(1-hydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC(C)(CO)N1C(=O)C2CCCC2C1=O
InChIInChI=1S/C11H17NO3/c1-11(2,6-13)12-9(14)7-4-3-5-8(7)10(12)15/h7-8,13H,3-6H2,1-2H3
InChIKeyFRYOJPWKLOXFLL-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.54
Rot. Bonds2

About 2-(1-hydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

2-(1-hydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 103980002) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(1-hydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-(1-hydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID103980002
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-(1-hydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC(C)(CO)N1C(=O)C2CCCC2C1=O
InChIInChI=1S/C11H17NO3/c1-11(2,6-13)12-9(14)7-4-3-5-8(7)10(12)15/h7-8,13H,3-6H2,1-2H3
InChIKeyFRYOJPWKLOXFLL-UHFFFAOYSA-N
XLogP0.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-hydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione 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-(1-hydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-(1-hydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 103980002) is 2-(1-hydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-(1-hydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-(1-hydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CC(C)(CO)N1C(=O)C2CCCC2C1=O.
What is the InChIKey of 2-(1-hydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is FRYOJPWKLOXFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-11(2,6-13)12-9(14)7-4-3-5-8(7)10(12)15/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 2-(1-hydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-(1-hydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 211.26 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 103980002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).