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

C16H27NO2 — CID 134392525

IUPAC2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC(C)C1CC(C(C)C)C2C(=O)N(C(C)C)C(=O)C12
InChIInChI=1S/C16H27NO2/c1-8(2)11-7-12(9(3)4)14-13(11)15(18)17(10(5)6)16(14)19/h8-14H,7H2,1-6H3
InChIKeyCUFADMNPCQYKBY-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.94
Rot. Bonds3

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

2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 134392525) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID134392525
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC(C)C1CC(C(C)C)C2C(=O)N(C(C)C)C(=O)C12
InChIInChI=1S/C16H27NO2/c1-8(2)11-7-12(9(3)4)14-13(11)15(18)17(10(5)6)16(14)19/h8-14H,7H2,1-6H3
InChIKeyCUFADMNPCQYKBY-UHFFFAOYSA-N
XLogP2.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4,6-tri(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 2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 134392525) is 2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CC(C)C1CC(C(C)C)C2C(=O)N(C(C)C)C(=O)C12.
What is the InChIKey of 2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is CUFADMNPCQYKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-8(2)11-7-12(9(3)4)14-13(11)15(18)17(10(5)6)16(14)19/h8-14H,7H2,1-6H3.
What are the key properties of 2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 265.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 134392525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).