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

C7H9NO4 — CID 140586250

IUPAC1-(1,2-dihydroxypropan-2-yl)pyrrole-2,5-dione
SMILESCC(O)(CO)N1C(=O)C=CC1=O
InChIInChI=1S/C7H9NO4/c1-7(12,4-9)8-5(10)2-3-6(8)11/h2-3,9,12H,4H2,1H3
InChIKeySHQVYLJUUYIULB-UHFFFAOYSA-N
MW171.15 g/mol
LogP-1.39
Rot. Bonds2

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

1-(1,2-dihydroxypropan-2-yl)pyrrole-2,5-dione (PubChem CID 140586250) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is 1-(1,2-dihydroxypropan-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1,2-dihydroxypropan-2-yl)pyrrole-2,5-dione
PubChem CID140586250
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name1-(1,2-dihydroxypropan-2-yl)pyrrole-2,5-dione
SMILESCC(O)(CO)N1C(=O)C=CC1=O
InChIInChI=1S/C7H9NO4/c1-7(12,4-9)8-5(10)2-3-6(8)11/h2-3,9,12H,4H2,1H3
InChIKeySHQVYLJUUYIULB-UHFFFAOYSA-N
XLogP-1.39
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Hydroxy-2-methylpropan-2-yl)pyrrole-2,5-dione
CID 22114711
1-(1,2-Dihydroxypropan-2-yl)-3-methylpyrrole-2,5-dione
CID 22403508
1-[2-Hydroxy-1-(2-methoxyethoxy)propan-2-yl]pyrrole-2,5-dione
CID 68007296
1-(1,2-Dihydroxypentan-2-yl)pyrrole-2,5-dione
CID 176322053
1-(1,3-Dihydroxy-2-methylpropan-2-yl)pyrrole-2,5-dione
CID 81965394

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroxypropan-2-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(1,2-dihydroxypropan-2-yl)pyrrole-2,5-dione (CID 140586250) is 1-(1,2-dihydroxypropan-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1,2-dihydroxypropan-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1,2-dihydroxypropan-2-yl)pyrrole-2,5-dione is CC(O)(CO)N1C(=O)C=CC1=O.
What is the InChIKey of 1-(1,2-dihydroxypropan-2-yl)pyrrole-2,5-dione?
The InChIKey is SHQVYLJUUYIULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c1-7(12,4-9)8-5(10)2-3-6(8)11/h2-3,9,12H,4H2,1H3.
What are the key properties of 1-(1,2-dihydroxypropan-2-yl)pyrrole-2,5-dione?
1-(1,2-dihydroxypropan-2-yl)pyrrole-2,5-dione has a molecular weight of 171.15 g/mol, XLogP of -1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroxypropan-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 140586250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).