aminomethoxy-oxo-prop-2-enoyloxyphosphanium

C4H7NO4P+ — CID 87104859

IUPACaminomethoxy-oxo-prop-2-enoyloxyphosphanium
SMILESC=CC(=O)O[P+](=O)OCN
InChIInChI=1S/C4H7NO4P/c1-2-4(6)9-10(7)8-3-5/h2H,1,3,5H2/q+1
InChIKeyLZRZDLSEEIYOOJ-UHFFFAOYSA-N
MW164.08 g/mol
LogP0.31
Rot. Bonds4

About aminomethoxy-oxo-prop-2-enoyloxyphosphanium

aminomethoxy-oxo-prop-2-enoyloxyphosphanium (PubChem CID 87104859) has the molecular formula C4H7NO4P+ and a molecular weight of 164.08 g/mol. Its IUPAC name is aminomethoxy-oxo-prop-2-enoyloxyphosphanium.

Molecular Properties

Compound Nameaminomethoxy-oxo-prop-2-enoyloxyphosphanium
PubChem CID87104859
Molecular FormulaC4H7NO4P+
Molecular Weight164.08 g/mol
Exact Mass164.01
IUPAC Nameaminomethoxy-oxo-prop-2-enoyloxyphosphanium
SMILESC=CC(=O)O[P+](=O)OCN
InChIInChI=1S/C4H7NO4P/c1-2-4(6)9-10(7)8-3-5/h2H,1,3,5H2/q+1
InChIKeyLZRZDLSEEIYOOJ-UHFFFAOYSA-N
XLogP0.31
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.08
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

amino prop-2-enoate;hydrofluoride
CID 174948745
2-aminoethanol;2-hydroxyethyl prop-2-enoate
CID 158127048
ethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate
CID 138520908
2-fluoroethyl prop-2-enoate;fluoromethyl prop-2-enoate
CID 160659277
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
ethoxy-(2-methoxy-2-oxo-1-prop-2-enoyloxyethyl)-oxophosphanium
CID 130464050
methane;prop-2-enyl prop-2-enoate
CID 87568259
amino prop-2-enoate;sulfanylidenecopper
CID 174997703
hydroxymethyl prop-2-enoate;hydrate
CID 88522890
2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
CID 173070225
ethane-1,2-diamine;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 131736476
ethyl prop-2-enoate;hydrochloride
CID 87359594

Frequently Asked Questions

What is the IUPAC name of aminomethoxy-oxo-prop-2-enoyloxyphosphanium?
The IUPAC name of aminomethoxy-oxo-prop-2-enoyloxyphosphanium (CID 87104859) is aminomethoxy-oxo-prop-2-enoyloxyphosphanium.
What is the SMILES notation for aminomethoxy-oxo-prop-2-enoyloxyphosphanium?
The canonical SMILES for aminomethoxy-oxo-prop-2-enoyloxyphosphanium is C=CC(=O)O[P+](=O)OCN.
What is the InChIKey of aminomethoxy-oxo-prop-2-enoyloxyphosphanium?
The InChIKey is LZRZDLSEEIYOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4P/c1-2-4(6)9-10(7)8-3-5/h2H,1,3,5H2/q+1.
What are the key properties of aminomethoxy-oxo-prop-2-enoyloxyphosphanium?
aminomethoxy-oxo-prop-2-enoyloxyphosphanium has a molecular weight of 164.08 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethoxy-oxo-prop-2-enoyloxyphosphanium is sourced from PubChem (CID 87104859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).