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

C14H23NO2 — CID 134398158

IUPAC6-methyl-2,4-di(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC(C)C1CC(C)C2C(=O)N(C(C)C)C(=O)C12
InChIInChI=1S/C14H23NO2/c1-7(2)10-6-9(5)11-12(10)14(17)15(8(3)4)13(11)16/h7-12H,6H2,1-5H3
InChIKeyUJJHGSDZNBITPL-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.31
Rot. Bonds2

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

6-methyl-2,4-di(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 134398158) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 6-methyl-2,4-di(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name6-methyl-2,4-di(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID134398158
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name6-methyl-2,4-di(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC(C)C1CC(C)C2C(=O)N(C(C)C)C(=O)C12
InChIInChI=1S/C14H23NO2/c1-7(2)10-6-9(5)11-12(10)14(17)15(8(3)4)13(11)16/h7-12H,6H2,1-5H3
InChIKeyUJJHGSDZNBITPL-UHFFFAOYSA-N
XLogP2.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methyl-2,4-di(propan-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 6-methyl-2,4-di(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 6-methyl-2,4-di(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 134398158) is 6-methyl-2,4-di(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 6-methyl-2,4-di(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 6-methyl-2,4-di(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CC(C)C1CC(C)C2C(=O)N(C(C)C)C(=O)C12.
What is the InChIKey of 6-methyl-2,4-di(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is UJJHGSDZNBITPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-7(2)10-6-9(5)11-12(10)14(17)15(8(3)4)13(11)16/h7-12H,6H2,1-5H3.
What are the key properties of 6-methyl-2,4-di(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
6-methyl-2,4-di(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 237.34 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,4-di(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 134398158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).