methyl 4-ethylbenzenecarboximidate

C10H13NO — CID 60984990

IUPACmethyl 4-ethylbenzenecarboximidate
SMILES[H]/N=C(\OC)c1ccc(CC)cc1
InChIInChI=1S/C10H13NO/c1-3-8-4-6-9(7-5-8)10(11)12-2/h4-7,11H,3H2,1-2H3/b11-10-
InChIKeyOXVMQHCEHLUDLD-KHPPLWFESA-N
MW163.22 g/mol
LogP2.22
Rot. Bonds2

About methyl 4-ethylbenzenecarboximidate

methyl 4-ethylbenzenecarboximidate (PubChem CID 60984990) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is methyl 4-ethylbenzenecarboximidate.

Molecular Properties

Compound Namemethyl 4-ethylbenzenecarboximidate
PubChem CID60984990
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Namemethyl 4-ethylbenzenecarboximidate
SMILES[H]/N=C(\OC)c1ccc(CC)cc1
InChIInChI=1S/C10H13NO/c1-3-8-4-6-9(7-5-8)10(11)12-2/h4-7,11H,3H2,1-2H3/b11-10-
InChIKeyOXVMQHCEHLUDLD-KHPPLWFESA-N
XLogP2.22
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

methyl 4-(4-ethylphenoxy)benzenecarboximidate
CID 95464155
methyl 3-(4-ethylphenyl)benzenecarboximidate
CID 82292494
methyl 4-methylbenzenecarboximidate;hydrochloride
CID 13090219
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107
1-(4-ethylphenyl)-3-methylbut-2-en-1-imine
CID 167296423
methyl 3-(4-ethylphenyl)propanimidate
CID 95436765
1-ethyl-4-(1-methoxyethenyl)benzene
CID 89277567
methyl 4-(2,5-dioxopyrrol-1-yl)benzenecarboximidate
CID 70612694
methyl 4-(3-fluorophenoxy)benzenecarboximidate
CID 82294589
2-[4-(C-ethoxycarbonimidoyl)phenyl]acetic acid
CID 165357218
4-ethyl-N-hydrazinylidenebenzenecarboximidamide
CID 89361259
ethyl 4-[4-(C-ethoxycarbonimidoyl)phenyl]benzenecarboximidate;methane
CID 159044199

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethylbenzenecarboximidate?
The IUPAC name of methyl 4-ethylbenzenecarboximidate (CID 60984990) is methyl 4-ethylbenzenecarboximidate.
What is the SMILES notation for methyl 4-ethylbenzenecarboximidate?
The canonical SMILES for methyl 4-ethylbenzenecarboximidate is [H]/N=C(\OC)c1ccc(CC)cc1.
What is the InChIKey of methyl 4-ethylbenzenecarboximidate?
The InChIKey is OXVMQHCEHLUDLD-KHPPLWFESA-N. The full InChI is InChI=1S/C10H13NO/c1-3-8-4-6-9(7-5-8)10(11)12-2/h4-7,11H,3H2,1-2H3/b11-10-.
What are the key properties of methyl 4-ethylbenzenecarboximidate?
methyl 4-ethylbenzenecarboximidate has a molecular weight of 163.22 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethylbenzenecarboximidate is sourced from PubChem (CID 60984990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).