3-(1-hydroxypropylidene)pyrrolidine-2,4-dione

C7H9NO3 — CID 141327495

IUPAC3-(1-hydroxypropylidene)pyrrolidine-2,4-dione
SMILESCCC(O)=C1C(=O)CNC1=O
InChIInChI=1S/C7H9NO3/c1-2-4(9)6-5(10)3-8-7(6)11/h9H,2-3H2,1H3,(H,8,11)
InChIKeyFUXBMTFWYPXUMR-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.09
Rot. Bonds1

About 3-(1-hydroxypropylidene)pyrrolidine-2,4-dione

3-(1-hydroxypropylidene)pyrrolidine-2,4-dione (PubChem CID 141327495) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 3-(1-hydroxypropylidene)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name3-(1-hydroxypropylidene)pyrrolidine-2,4-dione
PubChem CID141327495
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name3-(1-hydroxypropylidene)pyrrolidine-2,4-dione
SMILESCCC(O)=C1C(=O)CNC1=O
InChIInChI=1S/C7H9NO3/c1-2-4(9)6-5(10)3-8-7(6)11/h9H,2-3H2,1H3,(H,8,11)
InChIKeyFUXBMTFWYPXUMR-UHFFFAOYSA-N
XLogP-0.09
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 ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3-propanoyl-1,2-dihydropyrrol-5-one
CID 23355437
(3Z)-3-[(2E,4E)-1-hydroxy-4-methyl-5-naphthalen-2-ylpenta-2,4-dienylidene]pyrrolidine-2,4-dione
CID 54731809
2-(1-hydroxypropylidene)-5-propylcyclohexane-1,3-dione
CID 166518631
aziridin-2-one
CID 158991665
(3E)-3-butylideneazetidin-2-one
CID 55298756
5-hydroxy-2-(1-hydroxypropylidene)-5-(oxan-4-yl)cyclohexane-1,3-dione
CID 22411051
2-butan-2-ylidene-5,5-dimethylcyclohexane-1,3-dione
CID 89184950
2-(1-hydroxypropylidene)-5-(2,4,6-triethylphenyl)cyclohexane-1,3-dione
CID 71410284
(2E)-2-(1-hydroxypropylidene)-5,5-dimethyl-3-pyridin-4-yliminocyclohexan-1-one
CID 135455703
propanoic acid;pyrrolidin-2-one
CID 163580997
4-ethyl-3-propan-2-yl-1,2-dihydropyrrol-5-one
CID 86044242
N-[(6-oxo-4,5-dihydrothieno[3,4-c]pyrrol-3-yl)methyl]propanethioamide
CID 135178830

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxypropylidene)pyrrolidine-2,4-dione?
The IUPAC name of 3-(1-hydroxypropylidene)pyrrolidine-2,4-dione (CID 141327495) is 3-(1-hydroxypropylidene)pyrrolidine-2,4-dione.
What is the SMILES notation for 3-(1-hydroxypropylidene)pyrrolidine-2,4-dione?
The canonical SMILES for 3-(1-hydroxypropylidene)pyrrolidine-2,4-dione is CCC(O)=C1C(=O)CNC1=O.
What is the InChIKey of 3-(1-hydroxypropylidene)pyrrolidine-2,4-dione?
The InChIKey is FUXBMTFWYPXUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-2-4(9)6-5(10)3-8-7(6)11/h9H,2-3H2,1H3,(H,8,11).
What are the key properties of 3-(1-hydroxypropylidene)pyrrolidine-2,4-dione?
3-(1-hydroxypropylidene)pyrrolidine-2,4-dione has a molecular weight of 155.15 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxypropylidene)pyrrolidine-2,4-dione is sourced from PubChem (CID 141327495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).