4-formyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid

C6H7NO3 — CID 126622989

IUPAC4-formyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid
SMILESO=CC1=CNC(C(=O)O)C1
InChIInChI=1S/C6H7NO3/c8-3-4-1-5(6(9)10)7-2-4/h2-3,5,7H,1H2,(H,9,10)
InChIKeyAZCAEGATAQNYBF-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.48
Rot. Bonds2

About 4-formyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid

4-formyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid (PubChem CID 126622989) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 4-formyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-formyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid
PubChem CID126622989
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name4-formyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid
SMILESO=CC1=CNC(C(=O)O)C1
InChIInChI=1S/C6H7NO3/c8-3-4-1-5(6(9)10)7-2-4/h2-3,5,7H,1H2,(H,9,10)
InChIKeyAZCAEGATAQNYBF-UHFFFAOYSA-N
XLogP-0.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-[(E)-prop-1-enyl]-2,3-dihydro-1H-pyrrole-2-carboxylic acid
CID 146037169
(2S)-4-phenyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid
CID 13387957
4-(4-phenylphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid
CID 169091419
1,2,3,6-tetrahydroazepino[4,5-b]indole-2,5-dicarboxylic acid
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4-oxoazetidine-2-carboxylic acid;hydrochloride
CID 162462480
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CID 177496276
(2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid
CID 76973407
(2S,4R)-azetidine-2,4-dicarboxylic acid
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(6S)-piperidine-2,6-dicarboxylic acid
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chromium;tris((2S)-5-oxopyrrolidine-2-carboxylic acid)
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5-oxopyrrolidine-2-carboxylic acid;dihydrate
CID 175519070

Frequently Asked Questions

What is the IUPAC name of 4-formyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-formyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid (CID 126622989) is 4-formyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-formyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-formyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid is O=CC1=CNC(C(=O)O)C1.
What is the InChIKey of 4-formyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
The InChIKey is AZCAEGATAQNYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c8-3-4-1-5(6(9)10)7-2-4/h2-3,5,7H,1H2,(H,9,10).
What are the key properties of 4-formyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
4-formyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid has a molecular weight of 141.13 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 126622989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).