1-butyl-3,4-dihydroxypyrrolidine-2,5-dione

C8H13NO4 — CID 6420934

IUPAC1-butyl-3,4-dihydroxypyrrolidine-2,5-dione
SMILESCCCCN1C(=O)C(O)C(O)C1=O
InChIInChI=1S/C8H13NO4/c1-2-3-4-9-7(12)5(10)6(11)8(9)13/h5-6,10-11H,2-4H2,1H3
InChIKeyWSRKOIRZUJKVLL-UHFFFAOYSA-N
MW187.19 g/mol
LogP-1.12
Rot. Bonds3

About 1-butyl-3,4-dihydroxypyrrolidine-2,5-dione

1-butyl-3,4-dihydroxypyrrolidine-2,5-dione (PubChem CID 6420934) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-butyl-3,4-dihydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-butyl-3,4-dihydroxypyrrolidine-2,5-dione
PubChem CID6420934
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-butyl-3,4-dihydroxypyrrolidine-2,5-dione
SMILESCCCCN1C(=O)C(O)C(O)C1=O
InChIInChI=1S/C8H13NO4/c1-2-3-4-9-7(12)5(10)6(11)8(9)13/h5-6,10-11H,2-4H2,1H3
InChIKeyWSRKOIRZUJKVLL-UHFFFAOYSA-N
XLogP-1.12
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-1.12
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 1-butyl-3,4-dihydroxypyrrolidine-2,5-dione?
The IUPAC name of 1-butyl-3,4-dihydroxypyrrolidine-2,5-dione (CID 6420934) is 1-butyl-3,4-dihydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 1-butyl-3,4-dihydroxypyrrolidine-2,5-dione?
The canonical SMILES for 1-butyl-3,4-dihydroxypyrrolidine-2,5-dione is CCCCN1C(=O)C(O)C(O)C1=O.
What is the InChIKey of 1-butyl-3,4-dihydroxypyrrolidine-2,5-dione?
The InChIKey is WSRKOIRZUJKVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-2-3-4-9-7(12)5(10)6(11)8(9)13/h5-6,10-11H,2-4H2,1H3.
What are the key properties of 1-butyl-3,4-dihydroxypyrrolidine-2,5-dione?
1-butyl-3,4-dihydroxypyrrolidine-2,5-dione has a molecular weight of 187.19 g/mol, XLogP of -1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,4-dihydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 6420934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).