ethyl N'-methoxycarbamimidate

C4H10N2O2 — CID 20872274

IUPACethyl N'-methoxycarbamimidate
SMILESCCO/C(N)=N/OC
InChIInChI=1S/C4H10N2O2/c1-3-8-4(5)6-7-2/h3H2,1-2H3,(H2,5,6)
InChIKeyVWWSKQMQDYXHJM-UHFFFAOYSA-N
MW118.14 g/mol
LogP-0.10
Rot. Bonds2

About ethyl N'-methoxycarbamimidate

ethyl N'-methoxycarbamimidate (PubChem CID 20872274) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is ethyl N'-methoxycarbamimidate.

Molecular Properties

Compound Nameethyl N'-methoxycarbamimidate
PubChem CID20872274
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Nameethyl N'-methoxycarbamimidate
SMILESCCO/C(N)=N/OC
InChIInChI=1S/C4H10N2O2/c1-3-8-4(5)6-7-2/h3H2,1-2H3,(H2,5,6)
InChIKeyVWWSKQMQDYXHJM-UHFFFAOYSA-N
XLogP-0.10
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N'-methoxyethanimidamide
CID 126677071
ethyl (2E)-3-amino-2-methoxyimino-3-oxopropanoate
CID 14075610
methyl (NE)-N-[amino(ethoxy)methylidene]carbamate
CID 55285827
diethyl (2E,5E)-4-methoxyiminohepta-2,5-dienedioate
CID 121000551
ethyl (NZ)-N-[amino(methoxy)methylidene]carbamate
CID 22756468
ethyl 2-methoxyimino-4-oxobutanoate
CID 87332904
4-methoxyiminohex-2-enamide
CID 141284520
ethyl (2Z)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetate
CID 12889177
ethyl 2-methoxyimino-5-methyl-4-oxohexanoate
CID 86632548
ethyl 2-methoxyimino-5,5-dimethyl-4-oxohexanoate
CID 76750210
ethyl carbamate
CID 161409576
ethyl carbamate
CID 21202847

Frequently Asked Questions

What is the IUPAC name of ethyl N'-methoxycarbamimidate?
The IUPAC name of ethyl N'-methoxycarbamimidate (CID 20872274) is ethyl N'-methoxycarbamimidate.
What is the SMILES notation for ethyl N'-methoxycarbamimidate?
The canonical SMILES for ethyl N'-methoxycarbamimidate is CCO/C(N)=N/OC.
What is the InChIKey of ethyl N'-methoxycarbamimidate?
The InChIKey is VWWSKQMQDYXHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2/c1-3-8-4(5)6-7-2/h3H2,1-2H3,(H2,5,6).
What are the key properties of ethyl N'-methoxycarbamimidate?
ethyl N'-methoxycarbamimidate has a molecular weight of 118.14 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N'-methoxycarbamimidate is sourced from PubChem (CID 20872274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).