2-(furan-2-yl)-2-iminoacetic acid

C6H5NO3 — CID 141219188

IUPAC2-(furan-2-yl)-2-iminoacetic acid
SMILES[H]/N=C(\C(=O)O)c1ccco1
InChIInChI=1S/C6H5NO3/c7-5(6(8)9)4-2-1-3-10-4/h1-3,7H,(H,8,9)/b7-5-
InChIKeyGZPJMXIOGAIHKO-ALCCZGGFSA-N
MW139.11 g/mol
LogP0.73
Rot. Bonds2

About 2-(furan-2-yl)-2-iminoacetic acid

2-(furan-2-yl)-2-iminoacetic acid (PubChem CID 141219188) has the molecular formula C6H5NO3 and a molecular weight of 139.11 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-iminoacetic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-2-iminoacetic acid
PubChem CID141219188
Molecular FormulaC6H5NO3
Molecular Weight139.11 g/mol
Exact Mass139.03
IUPAC Name2-(furan-2-yl)-2-iminoacetic acid
SMILES[H]/N=C(\C(=O)O)c1ccco1
InChIInChI=1S/C6H5NO3/c7-5(6(8)9)4-2-1-3-10-4/h1-3,7H,(H,8,9)/b7-5-
InChIKeyGZPJMXIOGAIHKO-ALCCZGGFSA-N
XLogP0.73
TPSA74.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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furan-2-carboxylic acid;methanamine
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furan-2-carboximidamide;2,2,2-trifluoroacetic acid
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furan-2-carboxylic acid;furan-2,5-dicarboxylic acid
CID 158946082
1,4-dioxocine-5-carboxylic acid
CID 144848843
furan-2-carboxylic acid;pyrazine
CID 158159204
CID 11810844
CID 11810844
copper;bis(furan-2-carboxylate);furan-2-carboxylic acid
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(2Z)-2-(furan-2-yl)-2-hydroxyiminoacetic acid
CID 14556124

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-iminoacetic acid?
The IUPAC name of 2-(furan-2-yl)-2-iminoacetic acid (CID 141219188) is 2-(furan-2-yl)-2-iminoacetic acid.
What is the SMILES notation for 2-(furan-2-yl)-2-iminoacetic acid?
The canonical SMILES for 2-(furan-2-yl)-2-iminoacetic acid is [H]/N=C(\C(=O)O)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-2-iminoacetic acid?
The InChIKey is GZPJMXIOGAIHKO-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H5NO3/c7-5(6(8)9)4-2-1-3-10-4/h1-3,7H,(H,8,9)/b7-5-.
What are the key properties of 2-(furan-2-yl)-2-iminoacetic acid?
2-(furan-2-yl)-2-iminoacetic acid has a molecular weight of 139.11 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-iminoacetic acid is sourced from PubChem (CID 141219188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).