3-[(3-ethyl-2-hydroxypentyl)amino]-1-methylpyrrolidine-2,5-dione

C12H22N2O3 — CID 106285163

IUPAC3-[(3-ethyl-2-hydroxypentyl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCCC(CC)C(O)CNC1CC(=O)N(C)C1=O
InChIInChI=1S/C12H22N2O3/c1-4-8(5-2)10(15)7-13-9-6-11(16)14(3)12(9)17/h8-10,13,15H,4-7H2,1-3H3
InChIKeyGVSMZTSQAGBNHE-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.13
Rot. Bonds6

About 3-[(3-ethyl-2-hydroxypentyl)amino]-1-methylpyrrolidine-2,5-dione

3-[(3-ethyl-2-hydroxypentyl)amino]-1-methylpyrrolidine-2,5-dione (PubChem CID 106285163) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[(3-ethyl-2-hydroxypentyl)amino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3-ethyl-2-hydroxypentyl)amino]-1-methylpyrrolidine-2,5-dione
PubChem CID106285163
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[(3-ethyl-2-hydroxypentyl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCCC(CC)C(O)CNC1CC(=O)N(C)C1=O
InChIInChI=1S/C12H22N2O3/c1-4-8(5-2)10(15)7-13-9-6-11(16)14(3)12(9)17/h8-10,13,15H,4-7H2,1-3H3
InChIKeyGVSMZTSQAGBNHE-UHFFFAOYSA-N
XLogP0.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-2-hydroxypentyl)amino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(3-ethyl-2-hydroxypentyl)amino]-1-methylpyrrolidine-2,5-dione (CID 106285163) is 3-[(3-ethyl-2-hydroxypentyl)amino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3-ethyl-2-hydroxypentyl)amino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3-ethyl-2-hydroxypentyl)amino]-1-methylpyrrolidine-2,5-dione is CCC(CC)C(O)CNC1CC(=O)N(C)C1=O.
What is the InChIKey of 3-[(3-ethyl-2-hydroxypentyl)amino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is GVSMZTSQAGBNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-8(5-2)10(15)7-13-9-6-11(16)14(3)12(9)17/h8-10,13,15H,4-7H2,1-3H3.
What are the key properties of 3-[(3-ethyl-2-hydroxypentyl)amino]-1-methylpyrrolidine-2,5-dione?
3-[(3-ethyl-2-hydroxypentyl)amino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 242.32 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-2-hydroxypentyl)amino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 106285163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).