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

C13H21NO3 — CID 103980010

IUPAC2-(1-hydroxy-4-methylpentan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC(C)CC(CO)N1C(=O)C2CCCC2C1=O
InChIInChI=1S/C13H21NO3/c1-8(2)6-9(7-15)14-12(16)10-4-3-5-11(10)13(14)17/h8-11,15H,3-7H2,1-2H3
InChIKeySVMBLBYFQBQKRL-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.18
Rot. Bonds4

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

2-(1-hydroxy-4-methylpentan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 103980010) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(1-hydroxy-4-methylpentan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-(1-hydroxy-4-methylpentan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID103980010
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-(1-hydroxy-4-methylpentan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC(C)CC(CO)N1C(=O)C2CCCC2C1=O
InChIInChI=1S/C13H21NO3/c1-8(2)6-9(7-15)14-12(16)10-4-3-5-11(10)13(14)17/h8-11,15H,3-7H2,1-2H3
InChIKeySVMBLBYFQBQKRL-UHFFFAOYSA-N
XLogP1.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hydroxy-4-methylpentan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-(1-hydroxy-4-methylpentan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 103980010) is 2-(1-hydroxy-4-methylpentan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-(1-hydroxy-4-methylpentan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-(1-hydroxy-4-methylpentan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CC(C)CC(CO)N1C(=O)C2CCCC2C1=O.
What is the InChIKey of 2-(1-hydroxy-4-methylpentan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is SVMBLBYFQBQKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-8(2)6-9(7-15)14-12(16)10-4-3-5-11(10)13(14)17/h8-11,15H,3-7H2,1-2H3.
What are the key properties of 2-(1-hydroxy-4-methylpentan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-(1-hydroxy-4-methylpentan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 239.31 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-4-methylpentan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 103980010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).