1-(2,2,4,4-tetramethylpentyl)pyrrolidine-2,5-dione

C13H23NO2 — CID 139478689

IUPAC1-(2,2,4,4-tetramethylpentyl)pyrrolidine-2,5-dione
SMILESCC(C)(C)CC(C)(C)CN1C(=O)CCC1=O
InChIInChI=1S/C13H23NO2/c1-12(2,3)8-13(4,5)9-14-10(15)6-7-11(14)16/h6-9H2,1-5H3
InChIKeyRLISHCSEQCVICE-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.60
Rot. Bonds3

About 1-(2,2,4,4-tetramethylpentyl)pyrrolidine-2,5-dione

1-(2,2,4,4-tetramethylpentyl)pyrrolidine-2,5-dione (PubChem CID 139478689) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(2,2,4,4-tetramethylpentyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,2,4,4-tetramethylpentyl)pyrrolidine-2,5-dione
PubChem CID139478689
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(2,2,4,4-tetramethylpentyl)pyrrolidine-2,5-dione
SMILESCC(C)(C)CC(C)(C)CN1C(=O)CCC1=O
InChIInChI=1S/C13H23NO2/c1-12(2,3)8-13(4,5)9-14-10(15)6-7-11(14)16/h6-9H2,1-5H3
InChIKeyRLISHCSEQCVICE-UHFFFAOYSA-N
XLogP2.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2,4,4-tetramethylpentyl)pyrrole-2,5-dione
CID 123912604
1-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione
CID 170533041
1-(5-hydroxy-2,2-dimethylpentyl)pyrrolidine-2,5-dione
CID 106146212
1-(2-ethyl-2-hydroxybutyl)pyrrolidine-2,5-dione
CID 65118107
1-(2-amino-2-ethylbutyl)pyrrolidine-2,5-dione
CID 115306372
1-(2-hydroxy-2,4-dimethylpentyl)pyrrolidine-2,5-dione
CID 66180583
1-[6-(2,5-dioxopyrrolidin-1-yl)-3,5,5-trimethylhexyl]pyrrole-2,5-dione
CID 155445430
4-(3-bromo-2,2-dimethylpropyl)morpholine-3,5-dione
CID 64994662
1-(3-amino-3-methylbutyl)pyrrolidine-2,5-dione
CID 83817356
2,2,4,4,6,6-hexamethylheptane
CID 2795065
ethene;1-ethylpyrrolidine-2,5-dione
CID 143516533
1-(trimethylsilylmethyl)pyrrolidine-2,5-dione
CID 10103885

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,4,4-tetramethylpentyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2,2,4,4-tetramethylpentyl)pyrrolidine-2,5-dione (CID 139478689) is 1-(2,2,4,4-tetramethylpentyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,2,4,4-tetramethylpentyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,2,4,4-tetramethylpentyl)pyrrolidine-2,5-dione is CC(C)(C)CC(C)(C)CN1C(=O)CCC1=O.
What is the InChIKey of 1-(2,2,4,4-tetramethylpentyl)pyrrolidine-2,5-dione?
The InChIKey is RLISHCSEQCVICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-12(2,3)8-13(4,5)9-14-10(15)6-7-11(14)16/h6-9H2,1-5H3.
What are the key properties of 1-(2,2,4,4-tetramethylpentyl)pyrrolidine-2,5-dione?
1-(2,2,4,4-tetramethylpentyl)pyrrolidine-2,5-dione has a molecular weight of 225.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,4,4-tetramethylpentyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 139478689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).