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

C9H13NO3 — CID 68983760

IUPAC1-(1-hydroxypentyl)pyrrole-2,5-dione
SMILESCCCCC(O)N1C(=O)C=CC1=O
InChIInChI=1S/C9H13NO3/c1-2-3-4-7(11)10-8(12)5-6-9(10)13/h5-7,11H,2-4H2,1H3
InChIKeySMXVHLVGJGZCPO-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.42
Rot. Bonds4

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

1-(1-hydroxypentyl)pyrrole-2,5-dione (PubChem CID 68983760) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(1-hydroxypentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1-hydroxypentyl)pyrrole-2,5-dione
PubChem CID68983760
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-(1-hydroxypentyl)pyrrole-2,5-dione
SMILESCCCCC(O)N1C(=O)C=CC1=O
InChIInChI=1S/C9H13NO3/c1-2-3-4-7(11)10-8(12)5-6-9(10)13/h5-7,11H,2-4H2,1H3
InChIKeySMXVHLVGJGZCPO-UHFFFAOYSA-N
XLogP0.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.42
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-(1-hydroxypentyl)pyrrole-2,5-dione?
The IUPAC name of 1-(1-hydroxypentyl)pyrrole-2,5-dione (CID 68983760) is 1-(1-hydroxypentyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1-hydroxypentyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1-hydroxypentyl)pyrrole-2,5-dione is CCCCC(O)N1C(=O)C=CC1=O.
What is the InChIKey of 1-(1-hydroxypentyl)pyrrole-2,5-dione?
The InChIKey is SMXVHLVGJGZCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-2-3-4-7(11)10-8(12)5-6-9(10)13/h5-7,11H,2-4H2,1H3.
What are the key properties of 1-(1-hydroxypentyl)pyrrole-2,5-dione?
1-(1-hydroxypentyl)pyrrole-2,5-dione has a molecular weight of 183.21 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypentyl)pyrrole-2,5-dione is sourced from PubChem (CID 68983760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).