1-(5-hydroxypentyl)pyrrolidine-2,5-dione

C9H15NO3 — CID 62228424

IUPAC1-(5-hydroxypentyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCCCO
InChIInChI=1S/C9H15NO3/c11-7-3-1-2-6-10-8(12)4-5-9(10)13/h11H,1-7H2
InChIKeyCBZGWLWLGZXSNM-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.30
Rot. Bonds5

About 1-(5-hydroxypentyl)pyrrolidine-2,5-dione

1-(5-hydroxypentyl)pyrrolidine-2,5-dione (PubChem CID 62228424) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-(5-hydroxypentyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(5-hydroxypentyl)pyrrolidine-2,5-dione
PubChem CID62228424
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-(5-hydroxypentyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCCCO
InChIInChI=1S/C9H15NO3/c11-7-3-1-2-6-10-8(12)4-5-9(10)13/h11H,1-7H2
InChIKeyCBZGWLWLGZXSNM-UHFFFAOYSA-N
XLogP0.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxypentyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(5-hydroxypentyl)pyrrolidine-2,5-dione (CID 62228424) is 1-(5-hydroxypentyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(5-hydroxypentyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(5-hydroxypentyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCCCCO.
What is the InChIKey of 1-(5-hydroxypentyl)pyrrolidine-2,5-dione?
The InChIKey is CBZGWLWLGZXSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-7-3-1-2-6-10-8(12)4-5-9(10)13/h11H,1-7H2.
What are the key properties of 1-(5-hydroxypentyl)pyrrolidine-2,5-dione?
1-(5-hydroxypentyl)pyrrolidine-2,5-dione has a molecular weight of 185.22 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypentyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 62228424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).