ethyl 1-cyano-N-ethylmethanimidate

C6H10N2O — CID 172782517

IUPACethyl 1-cyano-N-ethylmethanimidate
SMILESCC/N=C(\C#N)OCC
InChIInChI=1S/C6H10N2O/c1-3-8-6(5-7)9-4-2/h3-4H2,1-2H3/b8-6+
InChIKeyOLICIVUBKBPKFH-SOFGYWHQSA-N
MW126.16 g/mol
LogP0.96
Rot. Bonds2

About ethyl 1-cyano-N-ethylmethanimidate

ethyl 1-cyano-N-ethylmethanimidate (PubChem CID 172782517) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is ethyl 1-cyano-N-ethylmethanimidate.

Molecular Properties

Compound Nameethyl 1-cyano-N-ethylmethanimidate
PubChem CID172782517
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Nameethyl 1-cyano-N-ethylmethanimidate
SMILESCC/N=C(\C#N)OCC
InChIInChI=1S/C6H10N2O/c1-3-8-6(5-7)9-4-2/h3-4H2,1-2H3/b8-6+
InChIKeyOLICIVUBKBPKFH-SOFGYWHQSA-N
XLogP0.96
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.96
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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Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyano-N-ethylmethanimidate?
The IUPAC name of ethyl 1-cyano-N-ethylmethanimidate (CID 172782517) is ethyl 1-cyano-N-ethylmethanimidate.
What is the SMILES notation for ethyl 1-cyano-N-ethylmethanimidate?
The canonical SMILES for ethyl 1-cyano-N-ethylmethanimidate is CC/N=C(\C#N)OCC.
What is the InChIKey of ethyl 1-cyano-N-ethylmethanimidate?
The InChIKey is OLICIVUBKBPKFH-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-8-6(5-7)9-4-2/h3-4H2,1-2H3/b8-6+.
What are the key properties of ethyl 1-cyano-N-ethylmethanimidate?
ethyl 1-cyano-N-ethylmethanimidate has a molecular weight of 126.16 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyano-N-ethylmethanimidate is sourced from PubChem (CID 172782517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).