imino-oxido-prop-2-enoyloxyphosphanium

C3H4NO3P — CID 176894191

IUPACimino-oxido-prop-2-enoyloxyphosphanium
SMILES[H]/N=[P+](\[O-])OC(=O)C=C
InChIInChI=1S/C3H4NO3P/c1-2-3(5)7-8(4)6/h2,4H,1H2
InChIKeyKIKDSKGDNFZNSI-UHFFFAOYSA-N
MW133.04 g/mol
LogP0.15
Rot. Bonds2

About imino-oxido-prop-2-enoyloxyphosphanium

imino-oxido-prop-2-enoyloxyphosphanium (PubChem CID 176894191) has the molecular formula C3H4NO3P and a molecular weight of 133.04 g/mol. Its IUPAC name is imino-oxido-prop-2-enoyloxyphosphanium.

Molecular Properties

Compound Nameimino-oxido-prop-2-enoyloxyphosphanium
PubChem CID176894191
Molecular FormulaC3H4NO3P
Molecular Weight133.04 g/mol
Exact Mass132.99
IUPAC Nameimino-oxido-prop-2-enoyloxyphosphanium
SMILES[H]/N=[P+](\[O-])OC(=O)C=C
InChIInChI=1S/C3H4NO3P/c1-2-3(5)7-8(4)6/h2,4H,1H2
InChIKeyKIKDSKGDNFZNSI-UHFFFAOYSA-N
XLogP0.15
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.04
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(3R,4S)-4-prop-2-enoyloxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 57332053
aminomethoxy-oxo-prop-2-enoyloxyphosphanium
CID 87104859
3-iminopropyl prop-2-enoate
CID 152689753
europium(2+);bis(prop-2-enoate)
CID 19816716
nitro prop-2-enoate
CID 22400648
trimethyl(prop-2-enoyloxy)azanium bromide
CID 163213351
ethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate
CID 138520908
2-prop-2-enoyloxyprop-2-enoic acid
CID 57160830
4-iminobutyl prop-2-enoate
CID 57122491
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
lithium;potassium;hydride;prop-2-enoyl prop-2-enoate
CID 173405151
amino prop-2-enoate;hydrofluoride
CID 174948745

Frequently Asked Questions

What is the IUPAC name of imino-oxido-prop-2-enoyloxyphosphanium?
The IUPAC name of imino-oxido-prop-2-enoyloxyphosphanium (CID 176894191) is imino-oxido-prop-2-enoyloxyphosphanium.
What is the SMILES notation for imino-oxido-prop-2-enoyloxyphosphanium?
The canonical SMILES for imino-oxido-prop-2-enoyloxyphosphanium is [H]/N=[P+](\[O-])OC(=O)C=C.
What is the InChIKey of imino-oxido-prop-2-enoyloxyphosphanium?
The InChIKey is KIKDSKGDNFZNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4NO3P/c1-2-3(5)7-8(4)6/h2,4H,1H2.
What are the key properties of imino-oxido-prop-2-enoyloxyphosphanium?
imino-oxido-prop-2-enoyloxyphosphanium has a molecular weight of 133.04 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imino-oxido-prop-2-enoyloxyphosphanium is sourced from PubChem (CID 176894191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).