1-(1-hydroxypropyl)pyrrole-2,5-dione

C7H9NO3 — CID 57054053

IUPAC1-(1-hydroxypropyl)pyrrole-2,5-dione
SMILESCCC(O)N1C(=O)C=CC1=O
InChIInChI=1S/C7H9NO3/c1-2-5(9)8-6(10)3-4-7(8)11/h3-5,9H,2H2,1H3
InChIKeyNMAFPPMNGWBVSA-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.36
Rot. Bonds2

About 1-(1-hydroxypropyl)pyrrole-2,5-dione

1-(1-hydroxypropyl)pyrrole-2,5-dione (PubChem CID 57054053) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 1-(1-hydroxypropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1-hydroxypropyl)pyrrole-2,5-dione
PubChem CID57054053
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name1-(1-hydroxypropyl)pyrrole-2,5-dione
SMILESCCC(O)N1C(=O)C=CC1=O
InChIInChI=1S/C7H9NO3/c1-2-5(9)8-6(10)3-4-7(8)11/h3-5,9H,2H2,1H3
InChIKeyNMAFPPMNGWBVSA-UHFFFAOYSA-N
XLogP-0.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Methylolmaleimide
CID 227678
1-Propyl-1H-pyrrole-2,5-dione
CID 89033
N-(2-Hydroxyethyl)maleimide
CID 458487
1-(3-hydroxypropyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 22177285
1-(1-Hydroxy-2-oxopropyl)-1H-pyrrole-2,5-dione
CID 286651
1-acetyl-2-hydroxy-2H-pyrrol-5-one
CID 10898807
1-(2-hydroxypropyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 12858661
N-2-hydroxyethyl-N-methylcrotonamide
CID 60747686
1-(2,2-Difluoro-3-hydroxypropyl)pyrrole-2,5-dione
CID 106172600
Ethene;1-propylpyrrole-2,5-dione
CID 285261
1-(3,3-Dihydroxypropyl)pyrrole-2,5-dione
CID 5255719
N-ethyl-N-(hydroxymethyl)prop-2-enamide
CID 18366429

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropyl)pyrrole-2,5-dione?
The IUPAC name of 1-(1-hydroxypropyl)pyrrole-2,5-dione (CID 57054053) is 1-(1-hydroxypropyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1-hydroxypropyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1-hydroxypropyl)pyrrole-2,5-dione is CCC(O)N1C(=O)C=CC1=O.
What is the InChIKey of 1-(1-hydroxypropyl)pyrrole-2,5-dione?
The InChIKey is NMAFPPMNGWBVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-2-5(9)8-6(10)3-4-7(8)11/h3-5,9H,2H2,1H3.
What are the key properties of 1-(1-hydroxypropyl)pyrrole-2,5-dione?
1-(1-hydroxypropyl)pyrrole-2,5-dione has a molecular weight of 155.15 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropyl)pyrrole-2,5-dione is sourced from PubChem (CID 57054053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).