ethyl N-cyano-4-hydroxybenzenecarboximidate

C10H10N2O2 — CID 137211693

IUPACethyl N-cyano-4-hydroxybenzenecarboximidate
SMILESCCO/C(=N\C#N)c1ccc(O)cc1
InChIInChI=1S/C10H10N2O2/c1-2-14-10(12-7-11)8-3-5-9(13)6-4-8/h3-6,13H,2H2,1H3/b12-10-
InChIKeyWNTBWPVPIXCFDW-BENRWUELSA-N
MW190.20 g/mol
LogP1.66
Rot. Bonds2

About ethyl N-cyano-4-hydroxybenzenecarboximidate

ethyl N-cyano-4-hydroxybenzenecarboximidate (PubChem CID 137211693) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is ethyl N-cyano-4-hydroxybenzenecarboximidate.

Molecular Properties

Compound Nameethyl N-cyano-4-hydroxybenzenecarboximidate
PubChem CID137211693
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Nameethyl N-cyano-4-hydroxybenzenecarboximidate
SMILESCCO/C(=N\C#N)c1ccc(O)cc1
InChIInChI=1S/C10H10N2O2/c1-2-14-10(12-7-11)8-3-5-9(13)6-4-8/h3-6,13H,2H2,1H3/b12-10-
InChIKeyWNTBWPVPIXCFDW-BENRWUELSA-N
XLogP1.66
TPSA65.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'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 N-cyano-4-hydroxybenzenecarboximidate?
The IUPAC name of ethyl N-cyano-4-hydroxybenzenecarboximidate (CID 137211693) is ethyl N-cyano-4-hydroxybenzenecarboximidate.
What is the SMILES notation for ethyl N-cyano-4-hydroxybenzenecarboximidate?
The canonical SMILES for ethyl N-cyano-4-hydroxybenzenecarboximidate is CCO/C(=N\C#N)c1ccc(O)cc1.
What is the InChIKey of ethyl N-cyano-4-hydroxybenzenecarboximidate?
The InChIKey is WNTBWPVPIXCFDW-BENRWUELSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-14-10(12-7-11)8-3-5-9(13)6-4-8/h3-6,13H,2H2,1H3/b12-10-.
What are the key properties of ethyl N-cyano-4-hydroxybenzenecarboximidate?
ethyl N-cyano-4-hydroxybenzenecarboximidate has a molecular weight of 190.20 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-cyano-4-hydroxybenzenecarboximidate is sourced from PubChem (CID 137211693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).