2-prop-2-enoxyiminopropanoic acid

C6H9NO3 — CID 54318593

IUPAC2-prop-2-enoxyiminopropanoic acid
SMILESC=CCON=C(C)C(=O)O
InChIInChI=1S/C6H9NO3/c1-3-4-10-7-5(2)6(8)9/h3H,1,4H2,2H3,(H,8,9)
InChIKeySPZQHLPWDLHFKO-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.65
Rot. Bonds4

About 2-prop-2-enoxyiminopropanoic acid

2-prop-2-enoxyiminopropanoic acid (PubChem CID 54318593) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 2-prop-2-enoxyiminopropanoic acid.

Molecular Properties

Compound Name2-prop-2-enoxyiminopropanoic acid
PubChem CID54318593
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name2-prop-2-enoxyiminopropanoic acid
SMILESC=CCON=C(C)C(=O)O
InChIInChI=1S/C6H9NO3/c1-3-4-10-7-5(2)6(8)9/h3H,1,4H2,2H3,(H,8,9)
InChIKeySPZQHLPWDLHFKO-UHFFFAOYSA-N
XLogP0.65
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-prop-2-enoxyiminopropanoic acid;O-prop-2-enylhydroxylamine
CID 88723475
(2Z)-2-ethoxyiminopropanoic acid
CID 55298228
2-(3-phenylprop-2-enoxyimino)propanoic acid;O-(3-phenylprop-2-enyl)hydroxylamine;hydrochloride
CID 88722523
4-bromo-3-oxo-2-prop-2-enoxyiminobutanoic acid
CID 88744471
(2E)-2-prop-2-enoxyiminopropan-1-amine
CID 58684746
N-prop-2-enoxypentan-3-imine
CID 174974673
2-prop-2-enoxyiminopropanedioate;silver
CID 118523482
disilver;2-prop-2-enoxyiminopropanedioate
CID 118523479
(2E)-2-[(E)-3-(3-chlorophenyl)prop-2-enoxy]iminopropanoic acid
CID 13041001
acetic acid;3-hydroperoxyprop-1-ene
CID 174162308
2-methoxyiminopropanoic acid;zinc
CID 174796491
2-[methyl(prop-2-enyl)hydrazinylidene]propanoic acid
CID 54142934

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxyiminopropanoic acid?
The IUPAC name of 2-prop-2-enoxyiminopropanoic acid (CID 54318593) is 2-prop-2-enoxyiminopropanoic acid.
What is the SMILES notation for 2-prop-2-enoxyiminopropanoic acid?
The canonical SMILES for 2-prop-2-enoxyiminopropanoic acid is C=CCON=C(C)C(=O)O.
What is the InChIKey of 2-prop-2-enoxyiminopropanoic acid?
The InChIKey is SPZQHLPWDLHFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-3-4-10-7-5(2)6(8)9/h3H,1,4H2,2H3,(H,8,9).
What are the key properties of 2-prop-2-enoxyiminopropanoic acid?
2-prop-2-enoxyiminopropanoic acid has a molecular weight of 143.14 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxyiminopropanoic acid is sourced from PubChem (CID 54318593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).