3-hydroxy-4-propan-2-ylpyrrole-2,5-dione

C7H9NO3 — CID 54706375

IUPAC3-hydroxy-4-propan-2-ylpyrrole-2,5-dione
SMILESCC(C)C1=C(O)C(=O)NC1=O
InChIInChI=1S/C7H9NO3/c1-3(2)4-5(9)7(11)8-6(4)10/h3H,1-2H3,(H2,8,9,10,11)
InChIKeyQATOPPNBDGPVRY-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.11
Rot. Bonds1

About 3-hydroxy-4-propan-2-ylpyrrole-2,5-dione

3-hydroxy-4-propan-2-ylpyrrole-2,5-dione (PubChem CID 54706375) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 3-hydroxy-4-propan-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-4-propan-2-ylpyrrole-2,5-dione
PubChem CID54706375
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name3-hydroxy-4-propan-2-ylpyrrole-2,5-dione
SMILESCC(C)C1=C(O)C(=O)NC1=O
InChIInChI=1S/C7H9NO3/c1-3(2)4-5(9)7(11)8-6(4)10/h3H,1-2H3,(H2,8,9,10,11)
InChIKeyQATOPPNBDGPVRY-UHFFFAOYSA-N
XLogP0.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-Hydroxy-3,4-dimethyl-2,6(1H,3H)-pyridinedione
CID 129940010
3-Tert-butyl-4-hydroxypyrrole-2,5-dione
CID 54697469
3-Ethyl-4-hydroxypyrrole-2,5-dione
CID 66831455
3-Butyl-4-hydroxypyrrole-2,5-dione
CID 67068203
(2,5-Dioxo-4-propan-2-ylpyrrol-3-yl) hypoiodite
CID 130455829
3-Hydroxy-4-(1-sulfanylethyl)pyrrole-2,5-dione
CID 132153723
Ethane;3-hydroxy-4-methylpyrrole-2,5-dione
CID 141823908
3-Hydroxy-4-propylpyrrole-2,5-dione
CID 154109819
5-hydroxy-4-propan-2-yl-3H-pyridine-2,6-dione
CID 154930357
3-Hydroxy-4-propan-2-yl-1,2-dihydropyrrol-5-one
CID 164745557
3-Acetyl-4-hydroxy-1H-pyrrole-2,5-dione
CID 54731693
4-hydroxy-5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one
CID 98086764

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-propan-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-hydroxy-4-propan-2-ylpyrrole-2,5-dione (CID 54706375) is 3-hydroxy-4-propan-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-hydroxy-4-propan-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-hydroxy-4-propan-2-ylpyrrole-2,5-dione is CC(C)C1=C(O)C(=O)NC1=O.
What is the InChIKey of 3-hydroxy-4-propan-2-ylpyrrole-2,5-dione?
The InChIKey is QATOPPNBDGPVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-3(2)4-5(9)7(11)8-6(4)10/h3H,1-2H3,(H2,8,9,10,11).
What are the key properties of 3-hydroxy-4-propan-2-ylpyrrole-2,5-dione?
3-hydroxy-4-propan-2-ylpyrrole-2,5-dione has a molecular weight of 155.15 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-propan-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 54706375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).