1-[5-hydroxy-4-(hydroxymethyl)pentyl]pyrrole-2,5-dione

C10H15NO4 — CID 23510751

IUPAC1-[5-hydroxy-4-(hydroxymethyl)pentyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCC(CO)CO
InChIInChI=1S/C10H15NO4/c12-6-8(7-13)2-1-5-11-9(14)3-4-10(11)15/h3-4,8,12-13H,1-2,5-7H2
InChIKeyLSXWAIRABSXCTI-UHFFFAOYSA-N
MW213.23 g/mol
LogP-0.71
Rot. Bonds6

About 1-[5-hydroxy-4-(hydroxymethyl)pentyl]pyrrole-2,5-dione

1-[5-hydroxy-4-(hydroxymethyl)pentyl]pyrrole-2,5-dione (PubChem CID 23510751) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-[5-hydroxy-4-(hydroxymethyl)pentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[5-hydroxy-4-(hydroxymethyl)pentyl]pyrrole-2,5-dione
PubChem CID23510751
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-[5-hydroxy-4-(hydroxymethyl)pentyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCC(CO)CO
InChIInChI=1S/C10H15NO4/c12-6-8(7-13)2-1-5-11-9(14)3-4-10(11)15/h3-4,8,12-13H,1-2,5-7H2
InChIKeyLSXWAIRABSXCTI-UHFFFAOYSA-N
XLogP-0.71
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.71
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-[5-hydroxy-4-(hydroxymethyl)pentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[5-hydroxy-4-(hydroxymethyl)pentyl]pyrrole-2,5-dione (CID 23510751) is 1-[5-hydroxy-4-(hydroxymethyl)pentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[5-hydroxy-4-(hydroxymethyl)pentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[5-hydroxy-4-(hydroxymethyl)pentyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCC(CO)CO.
What is the InChIKey of 1-[5-hydroxy-4-(hydroxymethyl)pentyl]pyrrole-2,5-dione?
The InChIKey is LSXWAIRABSXCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c12-6-8(7-13)2-1-5-11-9(14)3-4-10(11)15/h3-4,8,12-13H,1-2,5-7H2.
What are the key properties of 1-[5-hydroxy-4-(hydroxymethyl)pentyl]pyrrole-2,5-dione?
1-[5-hydroxy-4-(hydroxymethyl)pentyl]pyrrole-2,5-dione has a molecular weight of 213.23 g/mol, XLogP of -0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-hydroxy-4-(hydroxymethyl)pentyl]pyrrole-2,5-dione is sourced from PubChem (CID 23510751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).