ethanimidoyl benzenecarboximidate

C9H10N2O — CID 130459009

IUPACethanimidoyl benzenecarboximidate
SMILES[H]/N=C(\O/C(C)=N/[H])c1ccccc1
InChIInChI=1S/C9H10N2O/c1-7(10)12-9(11)8-5-3-2-4-6-8/h2-6,10-11H,1H3/b10-7+,11-9-
InChIKeyVIYWDFJELJIXNK-BDFJVSTISA-N
MW162.19 g/mol
LogP2.03
Rot. Bonds1

About ethanimidoyl benzenecarboximidate

ethanimidoyl benzenecarboximidate (PubChem CID 130459009) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is ethanimidoyl benzenecarboximidate.

Molecular Properties

Compound Nameethanimidoyl benzenecarboximidate
PubChem CID130459009
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Nameethanimidoyl benzenecarboximidate
SMILES[H]/N=C(\O/C(C)=N/[H])c1ccccc1
InChIInChI=1S/C9H10N2O/c1-7(10)12-9(11)8-5-3-2-4-6-8/h2-6,10-11H,1H3/b10-7+,11-9-
InChIKeyVIYWDFJELJIXNK-BDFJVSTISA-N
XLogP2.03
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.03
H-Bond Donors ≤ 52
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

bis(benzenecarboximidoyl) oxalate
CID 174616072
ethanimidoyl 4-(methylcarbamoyl)benzenecarboximidate
CID 171841669
2-methoxyethyl benzenecarboximidate
CID 134844394
phenylcarbamoyl benzenecarboximidate
CID 142010555
[N'-(3-methyl-1-oxobutan-2-yl)carbamimidoyl] benzenecarboximidate
CID 143524552
2,2,2-trifluoroethyl benzenecarboximidate
CID 102041341
ethane;1-phenylethanimine
CID 91121262
ethanimidoyl 4,6-diaminopyrimidine-5-carboximidate
CID 144810644
2-phenylpropanimidoyl 3-methoxybenzenecarboximidate
CID 142004050
(4-hydroxycyclohexa-1,5-diene-1-carboximidoyl) benzenecarboximidate
CID 144911407
ethane;(Z)-4-imino-3-methyl-4-phenylbut-2-en-2-amine
CID 144506172
ethyl 4-(2-phenylethenyl)benzenecarboximidate;hydrochloride
CID 70566768

Frequently Asked Questions

What is the IUPAC name of ethanimidoyl benzenecarboximidate?
The IUPAC name of ethanimidoyl benzenecarboximidate (CID 130459009) is ethanimidoyl benzenecarboximidate.
What is the SMILES notation for ethanimidoyl benzenecarboximidate?
The canonical SMILES for ethanimidoyl benzenecarboximidate is [H]/N=C(\O/C(C)=N/[H])c1ccccc1.
What is the InChIKey of ethanimidoyl benzenecarboximidate?
The InChIKey is VIYWDFJELJIXNK-BDFJVSTISA-N. The full InChI is InChI=1S/C9H10N2O/c1-7(10)12-9(11)8-5-3-2-4-6-8/h2-6,10-11H,1H3/b10-7+,11-9-.
What are the key properties of ethanimidoyl benzenecarboximidate?
ethanimidoyl benzenecarboximidate has a molecular weight of 162.19 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanimidoyl benzenecarboximidate is sourced from PubChem (CID 130459009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).