[(Z)-3-methoxy-3-oxoprop-1-enyl]azanium

C4H8NO2+ — CID 59991020

IUPAC[(Z)-3-methoxy-3-oxoprop-1-enyl]azanium
SMILESCOC(=O)/C=C\[NH3+]
InChIInChI=1S/C4H7NO2/c1-7-4(6)2-3-5/h2-3H,5H2,1H3/p+1/b3-2-
InChIKeyYHNZLOOOVQYYCP-IHWYPQMZSA-O
MW102.11 g/mol
LogP-1.09
Rot. Bonds1

About [(Z)-3-methoxy-3-oxoprop-1-enyl]azanium

[(Z)-3-methoxy-3-oxoprop-1-enyl]azanium (PubChem CID 59991020) has the molecular formula C4H8NO2+ and a molecular weight of 102.11 g/mol. Its IUPAC name is [(Z)-3-methoxy-3-oxoprop-1-enyl]azanium.

Molecular Properties

Compound Name[(Z)-3-methoxy-3-oxoprop-1-enyl]azanium
PubChem CID59991020
Molecular FormulaC4H8NO2+
Molecular Weight102.11 g/mol
Exact Mass102.05
IUPAC Name[(Z)-3-methoxy-3-oxoprop-1-enyl]azanium
SMILESCOC(=O)/C=C\[NH3+]
InChIInChI=1S/C4H7NO2/c1-7-4(6)2-3-5/h2-3H,5H2,1H3/p+1/b3-2-
InChIKeyYHNZLOOOVQYYCP-IHWYPQMZSA-O
XLogP-1.09
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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methyl (Z)-3-(dimethylamino)prop-2-enoate
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methyl (Z)-3-aminoprop-2-enoate
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(Z)-ethyl 3-aminoacrylate
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2-Ethoxycarbonylvinylamine
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Aminoacrylmethacrylate
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methyl (Z)-3-acetamidoprop-2-enoate
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3-Ethylaminoacrylic acid ethyl ester
CID 5702721
methyl (E)-3-amino-2-fluoroprop-2-enoate
CID 126635557
N-(2-Carbomethoxyvinyl)methylamine
CID 5367889

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-methoxy-3-oxoprop-1-enyl]azanium?
The IUPAC name of [(Z)-3-methoxy-3-oxoprop-1-enyl]azanium (CID 59991020) is [(Z)-3-methoxy-3-oxoprop-1-enyl]azanium.
What is the SMILES notation for [(Z)-3-methoxy-3-oxoprop-1-enyl]azanium?
The canonical SMILES for [(Z)-3-methoxy-3-oxoprop-1-enyl]azanium is COC(=O)/C=C\[NH3+].
What is the InChIKey of [(Z)-3-methoxy-3-oxoprop-1-enyl]azanium?
The InChIKey is YHNZLOOOVQYYCP-IHWYPQMZSA-O. The full InChI is InChI=1S/C4H7NO2/c1-7-4(6)2-3-5/h2-3H,5H2,1H3/p+1/b3-2-.
What are the key properties of [(Z)-3-methoxy-3-oxoprop-1-enyl]azanium?
[(Z)-3-methoxy-3-oxoprop-1-enyl]azanium has a molecular weight of 102.11 g/mol, XLogP of -1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-methoxy-3-oxoprop-1-enyl]azanium is sourced from PubChem (CID 59991020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).