1-(1-hydroxypentan-2-yl)pyrrole-2,5-dione

C9H13NO3 — CID 121483280

IUPAC1-(1-hydroxypentan-2-yl)pyrrole-2,5-dione
SMILESCCCC(CO)N1C(=O)C=CC1=O
InChIInChI=1S/C9H13NO3/c1-2-3-7(6-11)10-8(12)4-5-9(10)13/h4-5,7,11H,2-3,6H2,1H3
InChIKeyRABYOBIPTRYUBM-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.07
Rot. Bonds4

About 1-(1-hydroxypentan-2-yl)pyrrole-2,5-dione

1-(1-hydroxypentan-2-yl)pyrrole-2,5-dione (PubChem CID 121483280) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(1-hydroxypentan-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1-hydroxypentan-2-yl)pyrrole-2,5-dione
PubChem CID121483280
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-(1-hydroxypentan-2-yl)pyrrole-2,5-dione
SMILESCCCC(CO)N1C(=O)C=CC1=O
InChIInChI=1S/C9H13NO3/c1-2-3-7(6-11)10-8(12)4-5-9(10)13/h4-5,7,11H,2-3,6H2,1H3
InChIKeyRABYOBIPTRYUBM-UHFFFAOYSA-N
XLogP0.07
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 ≤ 50.07
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-hydroxypentan-2-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(1-hydroxypentan-2-yl)pyrrole-2,5-dione (CID 121483280) is 1-(1-hydroxypentan-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1-hydroxypentan-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1-hydroxypentan-2-yl)pyrrole-2,5-dione is CCCC(CO)N1C(=O)C=CC1=O.
What is the InChIKey of 1-(1-hydroxypentan-2-yl)pyrrole-2,5-dione?
The InChIKey is RABYOBIPTRYUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-2-3-7(6-11)10-8(12)4-5-9(10)13/h4-5,7,11H,2-3,6H2,1H3.
What are the key properties of 1-(1-hydroxypentan-2-yl)pyrrole-2,5-dione?
1-(1-hydroxypentan-2-yl)pyrrole-2,5-dione has a molecular weight of 183.21 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypentan-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 121483280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).