[(Z)-4-imino-5-methoxy-5-oxopent-2-en-2-yl]oxidanium

C6H10NO3+ — CID 163985727

IUPAC[(Z)-4-imino-5-methoxy-5-oxopent-2-en-2-yl]oxidanium
SMILES[H]/N=C(/C=C(/C)[OH2+])C(=O)OC
InChIInChI=1S/C6H9NO3/c1-4(8)3-5(7)6(9)10-2/h3,7-8H,1-2H3/p+1/b4-3-,7-5-
InChIKeyTWDFTVZWVHKIDT-MRWCJKGFSA-O
MW144.15 g/mol
LogP-0.19
Rot. Bonds2

About [(Z)-4-imino-5-methoxy-5-oxopent-2-en-2-yl]oxidanium

[(Z)-4-imino-5-methoxy-5-oxopent-2-en-2-yl]oxidanium (PubChem CID 163985727) has the molecular formula C6H10NO3+ and a molecular weight of 144.15 g/mol. Its IUPAC name is [(Z)-4-imino-5-methoxy-5-oxopent-2-en-2-yl]oxidanium.

Molecular Properties

Compound Name[(Z)-4-imino-5-methoxy-5-oxopent-2-en-2-yl]oxidanium
PubChem CID163985727
Molecular FormulaC6H10NO3+
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name[(Z)-4-imino-5-methoxy-5-oxopent-2-en-2-yl]oxidanium
SMILES[H]/N=C(/C=C(/C)[OH2+])C(=O)OC
InChIInChI=1S/C6H9NO3/c1-4(8)3-5(7)6(9)10-2/h3,7-8H,1-2H3/p+1/b4-3-,7-5-
InChIKeyTWDFTVZWVHKIDT-MRWCJKGFSA-O
XLogP-0.19
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

dimethyl (E)-2-ethanimidoylsulfanylbut-2-enedioate
CID 15906226
[(Z)-4-iminopent-2-en-2-yl]oxidanium
CID 143658651
methyl 2-imino-4-phenylbut-3-enoate
CID 91293785
methyl 3-imino-2-methylidenebutanoate
CID 91520499
[(Z)-1-chloro-4-imino-4-methoxy-1-oxobut-2-en-2-yl]oxidanium
CID 163762488
methyl 2-dimethoxyphosphoryl-2-iminoacetate
CID 123934254
methyl (Z)-2-ethanimidoyl-3-hydroxybut-2-enoate
CID 135482629
methyl 2-ethanimidoyl-3-hydroxybut-2-enoate
CID 135420610
2-imino-4-methylpent-3-enoic acid
CID 143316665
dimethyl oxalate
CID 11120
methyl (Z)-3-fluoro-2-methylprop-2-enoate
CID 12587009
dimethyl 2-methylbut-2-enedioate
CID 12045

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-imino-5-methoxy-5-oxopent-2-en-2-yl]oxidanium?
The IUPAC name of [(Z)-4-imino-5-methoxy-5-oxopent-2-en-2-yl]oxidanium (CID 163985727) is [(Z)-4-imino-5-methoxy-5-oxopent-2-en-2-yl]oxidanium.
What is the SMILES notation for [(Z)-4-imino-5-methoxy-5-oxopent-2-en-2-yl]oxidanium?
The canonical SMILES for [(Z)-4-imino-5-methoxy-5-oxopent-2-en-2-yl]oxidanium is [H]/N=C(/C=C(/C)[OH2+])C(=O)OC.
What is the InChIKey of [(Z)-4-imino-5-methoxy-5-oxopent-2-en-2-yl]oxidanium?
The InChIKey is TWDFTVZWVHKIDT-MRWCJKGFSA-O. The full InChI is InChI=1S/C6H9NO3/c1-4(8)3-5(7)6(9)10-2/h3,7-8H,1-2H3/p+1/b4-3-,7-5-.
What are the key properties of [(Z)-4-imino-5-methoxy-5-oxopent-2-en-2-yl]oxidanium?
[(Z)-4-imino-5-methoxy-5-oxopent-2-en-2-yl]oxidanium has a molecular weight of 144.15 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-imino-5-methoxy-5-oxopent-2-en-2-yl]oxidanium is sourced from PubChem (CID 163985727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).