2-hydroxy-2,5-dihydropyrrole-1-carbaldehyde

C5H7NO2 — CID 174543571

IUPAC2-hydroxy-2,5-dihydropyrrole-1-carbaldehyde
SMILESO=CN1CC=CC1O
InChIInChI=1S/C5H7NO2/c7-4-6-3-1-2-5(6)8/h1-2,4-5,8H,3H2
InChIKeyOTNXEIIIHXDAAG-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.67
Rot. Bonds1

About 2-hydroxy-2,5-dihydropyrrole-1-carbaldehyde

2-hydroxy-2,5-dihydropyrrole-1-carbaldehyde (PubChem CID 174543571) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 2-hydroxy-2,5-dihydropyrrole-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-2,5-dihydropyrrole-1-carbaldehyde
PubChem CID174543571
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name2-hydroxy-2,5-dihydropyrrole-1-carbaldehyde
SMILESO=CN1CC=CC1O
InChIInChI=1S/C5H7NO2/c7-4-6-3-1-2-5(6)8/h1-2,4-5,8H,3H2
InChIKeyOTNXEIIIHXDAAG-UHFFFAOYSA-N
XLogP-0.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-2,5-dihydropyrrol-2-ol
CID 130435692
2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde
CID 528365
(2S)-1-methyl-2,5-dihydropyrrole-2-carbaldehyde
CID 135189808
2-hydroxy-5-oxo-2H-pyrrole-1-carbaldehyde
CID 71343861
(1R,4R)-2-azabicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 98084070
(3R)-2-acetyl-3-ethyl-4-hydroxypyrrolidine-1-carbaldehyde
CID 143361887
2-(4-fluorophenyl)-3-hydroxyazetidine-1-carbaldehyde
CID 177253213
2,5-dihydropyrrole-1-carbaldehyde;ethane
CID 171103554
2,3-dihydroxy-5-methylpiperazine-1,4-dicarbaldehyde
CID 45115742
1-[2-(methylamino)acetyl]-2,5-dihydropyrrole-2-carbaldehyde
CID 20648600
3-amino-4-hydroxypyrrolidine-1-carbaldehyde
CID 135165674
1-iodo-2,5-dihydropyrrole-2-carboxylic acid
CID 174706654

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,5-dihydropyrrole-1-carbaldehyde?
The IUPAC name of 2-hydroxy-2,5-dihydropyrrole-1-carbaldehyde (CID 174543571) is 2-hydroxy-2,5-dihydropyrrole-1-carbaldehyde.
What is the SMILES notation for 2-hydroxy-2,5-dihydropyrrole-1-carbaldehyde?
The canonical SMILES for 2-hydroxy-2,5-dihydropyrrole-1-carbaldehyde is O=CN1CC=CC1O.
What is the InChIKey of 2-hydroxy-2,5-dihydropyrrole-1-carbaldehyde?
The InChIKey is OTNXEIIIHXDAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c7-4-6-3-1-2-5(6)8/h1-2,4-5,8H,3H2.
What are the key properties of 2-hydroxy-2,5-dihydropyrrole-1-carbaldehyde?
2-hydroxy-2,5-dihydropyrrole-1-carbaldehyde has a molecular weight of 113.12 g/mol, XLogP of -0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,5-dihydropyrrole-1-carbaldehyde is sourced from PubChem (CID 174543571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).