1-(5-hydroxypentan-2-yl)-3-methylpyrrolidine-2,5-dione

C10H17NO3 — CID 58340932

IUPAC1-(5-hydroxypentan-2-yl)-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(C(C)CCCO)C1=O
InChIInChI=1S/C10H17NO3/c1-7-6-9(13)11(10(7)14)8(2)4-3-5-12/h7-8,12H,3-6H2,1-2H3
InChIKeyLCSUXULWTLSMNT-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.54
Rot. Bonds4

About 1-(5-hydroxypentan-2-yl)-3-methylpyrrolidine-2,5-dione

1-(5-hydroxypentan-2-yl)-3-methylpyrrolidine-2,5-dione (PubChem CID 58340932) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(5-hydroxypentan-2-yl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(5-hydroxypentan-2-yl)-3-methylpyrrolidine-2,5-dione
PubChem CID58340932
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(5-hydroxypentan-2-yl)-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(C(C)CCCO)C1=O
InChIInChI=1S/C10H17NO3/c1-7-6-9(13)11(10(7)14)8(2)4-3-5-12/h7-8,12H,3-6H2,1-2H3
InChIKeyLCSUXULWTLSMNT-UHFFFAOYSA-N
XLogP0.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.54
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-(5-hydroxypentan-2-yl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-(5-hydroxypentan-2-yl)-3-methylpyrrolidine-2,5-dione (CID 58340932) is 1-(5-hydroxypentan-2-yl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(5-hydroxypentan-2-yl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(5-hydroxypentan-2-yl)-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(C(C)CCCO)C1=O.
What is the InChIKey of 1-(5-hydroxypentan-2-yl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is LCSUXULWTLSMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7-6-9(13)11(10(7)14)8(2)4-3-5-12/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 1-(5-hydroxypentan-2-yl)-3-methylpyrrolidine-2,5-dione?
1-(5-hydroxypentan-2-yl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 199.25 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypentan-2-yl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 58340932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).