1-(2,3,3,4-tetramethylpentan-2-yl)pyrrole-2,5-dione

C13H21NO2 — CID 177002738

IUPAC1-(2,3,3,4-tetramethylpentan-2-yl)pyrrole-2,5-dione
SMILESCC(C)C(C)(C)C(C)(C)N1C(=O)C=CC1=O
InChIInChI=1S/C13H21NO2/c1-9(2)12(3,4)13(5,6)14-10(15)7-8-11(14)16/h7-9H,1-6H3
InChIKeyQGTGQMVDZFKOBB-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.37
Rot. Bonds3

About 1-(2,3,3,4-tetramethylpentan-2-yl)pyrrole-2,5-dione

1-(2,3,3,4-tetramethylpentan-2-yl)pyrrole-2,5-dione (PubChem CID 177002738) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(2,3,3,4-tetramethylpentan-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,3,3,4-tetramethylpentan-2-yl)pyrrole-2,5-dione
PubChem CID177002738
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(2,3,3,4-tetramethylpentan-2-yl)pyrrole-2,5-dione
SMILESCC(C)C(C)(C)C(C)(C)N1C(=O)C=CC1=O
InChIInChI=1S/C13H21NO2/c1-9(2)12(3,4)13(5,6)14-10(15)7-8-11(14)16/h7-9H,1-6H3
InChIKeyQGTGQMVDZFKOBB-UHFFFAOYSA-N
XLogP2.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.37
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 1-(2,3,3,4-tetramethylpentan-2-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,3,3,4-tetramethylpentan-2-yl)pyrrole-2,5-dione (CID 177002738) is 1-(2,3,3,4-tetramethylpentan-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,3,3,4-tetramethylpentan-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,3,3,4-tetramethylpentan-2-yl)pyrrole-2,5-dione is CC(C)C(C)(C)C(C)(C)N1C(=O)C=CC1=O.
What is the InChIKey of 1-(2,3,3,4-tetramethylpentan-2-yl)pyrrole-2,5-dione?
The InChIKey is QGTGQMVDZFKOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9(2)12(3,4)13(5,6)14-10(15)7-8-11(14)16/h7-9H,1-6H3.
What are the key properties of 1-(2,3,3,4-tetramethylpentan-2-yl)pyrrole-2,5-dione?
1-(2,3,3,4-tetramethylpentan-2-yl)pyrrole-2,5-dione has a molecular weight of 223.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3,4-tetramethylpentan-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 177002738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).