3-(1-hydroxyethyl)-1-propan-2-ylpyrrole-2,5-dione

C9H13NO3 — CID 166766287

IUPAC3-(1-hydroxyethyl)-1-propan-2-ylpyrrole-2,5-dione
SMILESCC(O)C1=CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C9H13NO3/c1-5(2)10-8(12)4-7(6(3)11)9(10)13/h4-6,11H,1-3H3
InChIKeyYLTVVVRBBSPVGD-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.07
Rot. Bonds2

About 3-(1-hydroxyethyl)-1-propan-2-ylpyrrole-2,5-dione

3-(1-hydroxyethyl)-1-propan-2-ylpyrrole-2,5-dione (PubChem CID 166766287) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-1-propan-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-1-propan-2-ylpyrrole-2,5-dione
PubChem CID166766287
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name3-(1-hydroxyethyl)-1-propan-2-ylpyrrole-2,5-dione
SMILESCC(O)C1=CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C9H13NO3/c1-5(2)10-8(12)4-7(6(3)11)9(10)13/h4-6,11H,1-3H3
InChIKeyYLTVVVRBBSPVGD-UHFFFAOYSA-N
XLogP0.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 3-(1-hydroxyethyl)-1-propan-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(1-hydroxyethyl)-1-propan-2-ylpyrrole-2,5-dione (CID 166766287) is 3-(1-hydroxyethyl)-1-propan-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(1-hydroxyethyl)-1-propan-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(1-hydroxyethyl)-1-propan-2-ylpyrrole-2,5-dione is CC(O)C1=CC(=O)N(C(C)C)C1=O.
What is the InChIKey of 3-(1-hydroxyethyl)-1-propan-2-ylpyrrole-2,5-dione?
The InChIKey is YLTVVVRBBSPVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-5(2)10-8(12)4-7(6(3)11)9(10)13/h4-6,11H,1-3H3.
What are the key properties of 3-(1-hydroxyethyl)-1-propan-2-ylpyrrole-2,5-dione?
3-(1-hydroxyethyl)-1-propan-2-ylpyrrole-2,5-dione has a molecular weight of 183.21 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-1-propan-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 166766287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).