sodium 1-ethoxy-N-phenylmethanimidate

C9H10NNaO2 — CID 23666386

IUPACsodium 1-ethoxy-N-phenylmethanimidate
SMILESCCO/C([O-])=N/c1ccccc1.[Na+]
InChIInChI=1S/C9H11NO2.Na/c1-2-12-9(11)10-8-6-4-3-5-7-8;/h3-7H,2H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyCNTORDLTPNKYSS-UHFFFAOYSA-M
MW187.17 g/mol
LogP-1.93
Rot. Bonds2

About sodium 1-ethoxy-N-phenylmethanimidate

sodium 1-ethoxy-N-phenylmethanimidate (PubChem CID 23666386) has the molecular formula C9H10NNaO2 and a molecular weight of 187.17 g/mol. Its IUPAC name is sodium 1-ethoxy-N-phenylmethanimidate.

Molecular Properties

Compound Namesodium 1-ethoxy-N-phenylmethanimidate
PubChem CID23666386
Molecular FormulaC9H10NNaO2
Molecular Weight187.17 g/mol
Exact Mass187.06
IUPAC Namesodium 1-ethoxy-N-phenylmethanimidate
SMILESCCO/C([O-])=N/c1ccccc1.[Na+]
InChIInChI=1S/C9H11NO2.Na/c1-2-12-9(11)10-8-6-4-3-5-7-8;/h3-7H,2H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyCNTORDLTPNKYSS-UHFFFAOYSA-M
XLogP-1.93
TPSA44.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 5-1.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-phenyldiazenylphenyl)-1-[2-(trimethylazaniumyl)ethoxy]methanimidate;hydroiodide
CID 138398988
ethyl 3-oxo-2-phenyliminobutanoate
CID 12761518
ethyl 2-phenyliminobutanoate
CID 158237119
ethyl N-[4-[4-[[ethoxy(phenyl)methylidene]amino]phenoxy]phenyl]benzenecarboximidate
CID 122577792
ethanol;2-phenylguanidine
CID 172840613
ethyl 3,3,3-trifluoro-2-phenyliminopropanoate
CID 15273553
sodium N-phenylbenzenecarboximidate
CID 101478237
ethyl 2-phenyliminoacetate
CID 7095267
1-cyclohexyloxy-1-ethoxy-N-phenylmethanimine
CID 23318357
ethyl (2R)-4,4,4-trifluoro-2-methyl-3-phenyliminobutanoate
CID 98115152
ethyl 2-(4-phenyldiazenylphenyl)acetate
CID 86675520
N,N-dimethyl-N',2-diphenylethanimidamide
CID 525868

Frequently Asked Questions

What is the IUPAC name of sodium 1-ethoxy-N-phenylmethanimidate?
The IUPAC name of sodium 1-ethoxy-N-phenylmethanimidate (CID 23666386) is sodium 1-ethoxy-N-phenylmethanimidate.
What is the SMILES notation for sodium 1-ethoxy-N-phenylmethanimidate?
The canonical SMILES for sodium 1-ethoxy-N-phenylmethanimidate is CCO/C([O-])=N/c1ccccc1.[Na+].
What is the InChIKey of sodium 1-ethoxy-N-phenylmethanimidate?
The InChIKey is CNTORDLTPNKYSS-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11NO2.Na/c1-2-12-9(11)10-8-6-4-3-5-7-8;/h3-7H,2H2,1H3,(H,10,11);/q;+1/p-1.
What are the key properties of sodium 1-ethoxy-N-phenylmethanimidate?
sodium 1-ethoxy-N-phenylmethanimidate has a molecular weight of 187.17 g/mol, XLogP of -1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-ethoxy-N-phenylmethanimidate is sourced from PubChem (CID 23666386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).