ethyl (1E)-N-diethoxyphosphorylmethanimidate

C7H16NO4P — CID 11127522

IUPACethyl (1E)-N-diethoxyphosphorylmethanimidate
SMILESCCO/C=N/P(=O)(OCC)OCC
InChIInChI=1S/C7H16NO4P/c1-4-10-7-8-13(9,11-5-2)12-6-3/h7H,4-6H2,1-3H3/b8-7+
InChIKeyWNEVOPLZBHDXLK-BQYQJAHWSA-N
MW209.18 g/mol
LogP2.23
Rot. Bonds7

About ethyl (1E)-N-diethoxyphosphorylmethanimidate

ethyl (1E)-N-diethoxyphosphorylmethanimidate (PubChem CID 11127522) has the molecular formula C7H16NO4P and a molecular weight of 209.18 g/mol. Its IUPAC name is ethyl (1E)-N-diethoxyphosphorylmethanimidate.

Molecular Properties

Compound Nameethyl (1E)-N-diethoxyphosphorylmethanimidate
PubChem CID11127522
Molecular FormulaC7H16NO4P
Molecular Weight209.18 g/mol
Exact Mass209.08
IUPAC Nameethyl (1E)-N-diethoxyphosphorylmethanimidate
SMILESCCO/C=N/P(=O)(OCC)OCC
InChIInChI=1S/C7H16NO4P/c1-4-10-7-8-13(9,11-5-2)12-6-3/h7H,4-6H2,1-3H3/b8-7+
InChIKeyWNEVOPLZBHDXLK-BQYQJAHWSA-N
XLogP2.23
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(E)-N-diethoxyphosphoryl-1-(4-methylphenyl)methanimine
CID 24976772
tetrasodium ethyl phosphate
CID 141178132
disodium;ethyl phosphate
CID 11970393
CID 101187988
CID 101187988
hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
CID 139152951
barium(2+);ethyl phosphate
CID 12691393
N-[diethoxyphosphorylimino-(dimethylamino)-ethoxy-λ5-phosphanyl]-N-methylmethanamine
CID 23264675
CID 134857162
CID 134857162
N-diethoxyphosphoryl-1,3-dithiolan-2-imine
CID 13689
CID 10609899
CID 10609899
azane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate
CID 173014442
ethyl phosphate;N-methylmethanamine
CID 19985438

Frequently Asked Questions

What is the IUPAC name of ethyl (1E)-N-diethoxyphosphorylmethanimidate?
The IUPAC name of ethyl (1E)-N-diethoxyphosphorylmethanimidate (CID 11127522) is ethyl (1E)-N-diethoxyphosphorylmethanimidate.
What is the SMILES notation for ethyl (1E)-N-diethoxyphosphorylmethanimidate?
The canonical SMILES for ethyl (1E)-N-diethoxyphosphorylmethanimidate is CCO/C=N/P(=O)(OCC)OCC.
What is the InChIKey of ethyl (1E)-N-diethoxyphosphorylmethanimidate?
The InChIKey is WNEVOPLZBHDXLK-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H16NO4P/c1-4-10-7-8-13(9,11-5-2)12-6-3/h7H,4-6H2,1-3H3/b8-7+.
What are the key properties of ethyl (1E)-N-diethoxyphosphorylmethanimidate?
ethyl (1E)-N-diethoxyphosphorylmethanimidate has a molecular weight of 209.18 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1E)-N-diethoxyphosphorylmethanimidate is sourced from PubChem (CID 11127522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).