1-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2,5-dione

C9H11NO3 — CID 63296638

IUPAC1-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC(O)C1CC1
InChIInChI=1S/C9H11NO3/c11-7(6-1-2-6)5-10-8(12)3-4-9(10)13/h3-4,6-7,11H,1-2,5H2
InChIKeyHBXLLOUSQWCNNF-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.32
Rot. Bonds3

About 1-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2,5-dione

1-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2,5-dione (PubChem CID 63296638) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2,5-dione
PubChem CID63296638
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name1-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC(O)C1CC1
InChIInChI=1S/C9H11NO3/c11-7(6-1-2-6)5-10-8(12)3-4-9(10)13/h3-4,6-7,11H,1-2,5H2
InChIKeyHBXLLOUSQWCNNF-UHFFFAOYSA-N
XLogP-0.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.32
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-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2,5-dione (CID 63296638) is 1-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1CC(O)C1CC1.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2,5-dione?
The InChIKey is HBXLLOUSQWCNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-7(6-1-2-6)5-10-8(12)3-4-9(10)13/h3-4,6-7,11H,1-2,5H2.
What are the key properties of 1-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2,5-dione?
1-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2,5-dione has a molecular weight of 181.19 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 63296638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).