1-hydroxy-5-oxopyrrolidine-2-carbaldehyde

C5H7NO3 — CID 20622972

IUPAC1-hydroxy-5-oxopyrrolidine-2-carbaldehyde
SMILESO=CC1CCC(=O)N1O
InChIInChI=1S/C5H7NO3/c7-3-4-1-2-5(8)6(4)9/h3-4,9H,1-2H2
InChIKeyXGPMLODPDHHYFR-UHFFFAOYSA-N
MW129.12 g/mol
LogP-0.43
Rot. Bonds1

About 1-hydroxy-5-oxopyrrolidine-2-carbaldehyde

1-hydroxy-5-oxopyrrolidine-2-carbaldehyde (PubChem CID 20622972) has the molecular formula C5H7NO3 and a molecular weight of 129.12 g/mol. Its IUPAC name is 1-hydroxy-5-oxopyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name1-hydroxy-5-oxopyrrolidine-2-carbaldehyde
PubChem CID20622972
Molecular FormulaC5H7NO3
Molecular Weight129.12 g/mol
Exact Mass129.04
IUPAC Name1-hydroxy-5-oxopyrrolidine-2-carbaldehyde
SMILESO=CC1CCC(=O)N1O
InChIInChI=1S/C5H7NO3/c7-3-4-1-2-5(8)6(4)9/h3-4,9H,1-2H2
InChIKeyXGPMLODPDHHYFR-UHFFFAOYSA-N
XLogP-0.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-5-oxopyrrolidine-2-carbaldehyde
CID 19089740
1-Fluoro-5-oxopyrrolidine-2-carbaldehyde
CID 174853447
(R)-1-Methyl-5-oxopyrrolidine-2-carbaldehyde
CID 15159841
(S)-1-Methyl-5-oxopyrrolidine-2-carbaldehyde
CID 15159842
(2S)-1-hydroxypyrrolidine-2-carbaldehyde
CID 18604114
2-(1-Hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl)pentanedial
CID 19866389
1-Hydroxypyrrolidine-2-carbaldehyde
CID 22604970
(2S)-1-acetyl-5-oxopyrrolidine-2-carbaldehyde
CID 53923620
(2S)-1-chloro-5-oxopyrrolidine-2-carbaldehyde
CID 54505407
(2R)-1-hydroxypyrrolidine-2-carbaldehyde
CID 57141873
(2R)-1-ethyl-5-oxopyrrolidine-2-carbaldehyde
CID 57894061
1-Ethyl-5-oxopyrrolidine-2-carbaldehyde
CID 59752096

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-oxopyrrolidine-2-carbaldehyde?
The IUPAC name of 1-hydroxy-5-oxopyrrolidine-2-carbaldehyde (CID 20622972) is 1-hydroxy-5-oxopyrrolidine-2-carbaldehyde.
What is the SMILES notation for 1-hydroxy-5-oxopyrrolidine-2-carbaldehyde?
The canonical SMILES for 1-hydroxy-5-oxopyrrolidine-2-carbaldehyde is O=CC1CCC(=O)N1O.
What is the InChIKey of 1-hydroxy-5-oxopyrrolidine-2-carbaldehyde?
The InChIKey is XGPMLODPDHHYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c7-3-4-1-2-5(8)6(4)9/h3-4,9H,1-2H2.
What are the key properties of 1-hydroxy-5-oxopyrrolidine-2-carbaldehyde?
1-hydroxy-5-oxopyrrolidine-2-carbaldehyde has a molecular weight of 129.12 g/mol, XLogP of -0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-oxopyrrolidine-2-carbaldehyde is sourced from PubChem (CID 20622972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).