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

C11H17NO4 — CID 103980051

IUPAC2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC(CO)(CO)N1C(=O)C2CCCC2C1=O
InChIInChI=1S/C11H17NO4/c1-11(5-13,6-14)12-9(15)7-3-2-4-8(7)10(12)16/h7-8,13-14H,2-6H2,1H3
InChIKeyLHNNYKSWAINKQU-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.49
Rot. Bonds3

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

2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 103980051) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID103980051
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC(CO)(CO)N1C(=O)C2CCCC2C1=O
InChIInChI=1S/C11H17NO4/c1-11(5-13,6-14)12-9(15)7-3-2-4-8(7)10(12)16/h7-8,13-14H,2-6H2,1H3
InChIKeyLHNNYKSWAINKQU-UHFFFAOYSA-N
XLogP-0.49
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
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-(1,3-dihydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 103980051) is 2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CC(CO)(CO)N1C(=O)C2CCCC2C1=O.
What is the InChIKey of 2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is LHNNYKSWAINKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-11(5-13,6-14)12-9(15)7-3-2-4-8(7)10(12)16/h7-8,13-14H,2-6H2,1H3.
What are the key properties of 2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 227.26 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroxy-2-methylpropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 103980051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).