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

C17H29NO2 — CID 134392527

IUPAC5-methyl-2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC(C)C1C(C)C(C(C)C)C2C(=O)N(C(C)C)C(=O)C21
InChIInChI=1S/C17H29NO2/c1-8(2)12-11(7)13(9(3)4)15-14(12)16(19)18(10(5)6)17(15)20/h8-15H,1-7H3
InChIKeyOOWXANYFNZARHH-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.19
Rot. Bonds3

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

5-methyl-2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 134392527) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 5-methyl-2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name5-methyl-2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID134392527
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name5-methyl-2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC(C)C1C(C)C(C(C)C)C2C(=O)N(C(C)C)C(=O)C21
InChIInChI=1S/C17H29NO2/c1-8(2)12-11(7)13(9(3)4)15-14(12)16(19)18(10(5)6)17(15)20/h8-15H,1-7H3
InChIKeyOOWXANYFNZARHH-UHFFFAOYSA-N
XLogP3.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 5-methyl-2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 134392527) is 5-methyl-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 5-methyl-2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 5-methyl-2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CC(C)C1C(C)C(C(C)C)C2C(=O)N(C(C)C)C(=O)C21.
What is the InChIKey of 5-methyl-2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is OOWXANYFNZARHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-8(2)12-11(7)13(9(3)4)15-14(12)16(19)18(10(5)6)17(15)20/h8-15H,1-7H3.
What are the key properties of 5-methyl-2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
5-methyl-2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 279.42 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4,6-tri(propan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 134392527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).