1-(7-hydroxyheptyl)pyrrole-2,5-dione

C11H17NO3 — CID 68659971

IUPAC1-(7-hydroxyheptyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCCCO
InChIInChI=1S/C11H17NO3/c13-9-5-3-1-2-4-8-12-10(14)6-7-11(12)15/h6-7,13H,1-5,8-9H2
InChIKeySKYMMPWIAYHGLQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.85
Rot. Bonds7

About 1-(7-hydroxyheptyl)pyrrole-2,5-dione

1-(7-hydroxyheptyl)pyrrole-2,5-dione (PubChem CID 68659971) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(7-hydroxyheptyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(7-hydroxyheptyl)pyrrole-2,5-dione
PubChem CID68659971
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(7-hydroxyheptyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCCCO
InChIInChI=1S/C11H17NO3/c13-9-5-3-1-2-4-8-12-10(14)6-7-11(12)15/h6-7,13H,1-5,8-9H2
InChIKeySKYMMPWIAYHGLQ-UHFFFAOYSA-N
XLogP0.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.85
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-(7-hydroxyheptyl)pyrrole-2,5-dione?
The IUPAC name of 1-(7-hydroxyheptyl)pyrrole-2,5-dione (CID 68659971) is 1-(7-hydroxyheptyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(7-hydroxyheptyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(7-hydroxyheptyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCCCCCO.
What is the InChIKey of 1-(7-hydroxyheptyl)pyrrole-2,5-dione?
The InChIKey is SKYMMPWIAYHGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c13-9-5-3-1-2-4-8-12-10(14)6-7-11(12)15/h6-7,13H,1-5,8-9H2.
What are the key properties of 1-(7-hydroxyheptyl)pyrrole-2,5-dione?
1-(7-hydroxyheptyl)pyrrole-2,5-dione has a molecular weight of 211.26 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxyheptyl)pyrrole-2,5-dione is sourced from PubChem (CID 68659971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).