1-(2-hydroxyethyl)-3-methyl-4-(2-methylpentyl)pyrrolidine-2,5-dione

C13H23NO3 — CID 66598692

IUPAC1-(2-hydroxyethyl)-3-methyl-4-(2-methylpentyl)pyrrolidine-2,5-dione
SMILESCCCC(C)CC1C(=O)N(CCO)C(=O)C1C
InChIInChI=1S/C13H23NO3/c1-4-5-9(2)8-11-10(3)12(16)14(6-7-15)13(11)17/h9-11,15H,4-8H2,1-3H3
InChIKeyOELPOCKMLNKSNI-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.43
Rot. Bonds6

About 1-(2-hydroxyethyl)-3-methyl-4-(2-methylpentyl)pyrrolidine-2,5-dione

1-(2-hydroxyethyl)-3-methyl-4-(2-methylpentyl)pyrrolidine-2,5-dione (PubChem CID 66598692) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-methyl-4-(2-methylpentyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-methyl-4-(2-methylpentyl)pyrrolidine-2,5-dione
PubChem CID66598692
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-(2-hydroxyethyl)-3-methyl-4-(2-methylpentyl)pyrrolidine-2,5-dione
SMILESCCCC(C)CC1C(=O)N(CCO)C(=O)C1C
InChIInChI=1S/C13H23NO3/c1-4-5-9(2)8-11-10(3)12(16)14(6-7-15)13(11)17/h9-11,15H,4-8H2,1-3H3
InChIKeyOELPOCKMLNKSNI-UHFFFAOYSA-N
XLogP1.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hydroxyethyl)-3-methyl-4-(2-methylpentyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-methyl-4-(2-methylpentyl)pyrrolidine-2,5-dione (CID 66598692) is 1-(2-hydroxyethyl)-3-methyl-4-(2-methylpentyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-methyl-4-(2-methylpentyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-methyl-4-(2-methylpentyl)pyrrolidine-2,5-dione is CCCC(C)CC1C(=O)N(CCO)C(=O)C1C.
What is the InChIKey of 1-(2-hydroxyethyl)-3-methyl-4-(2-methylpentyl)pyrrolidine-2,5-dione?
The InChIKey is OELPOCKMLNKSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-5-9(2)8-11-10(3)12(16)14(6-7-15)13(11)17/h9-11,15H,4-8H2,1-3H3.
What are the key properties of 1-(2-hydroxyethyl)-3-methyl-4-(2-methylpentyl)pyrrolidine-2,5-dione?
1-(2-hydroxyethyl)-3-methyl-4-(2-methylpentyl)pyrrolidine-2,5-dione has a molecular weight of 241.33 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-methyl-4-(2-methylpentyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 66598692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).