methyl N-[1-(3-methylphenyl)ethenyl]ethanimidate

C12H15NO — CID 143876122

IUPACmethyl N-[1-(3-methylphenyl)ethenyl]ethanimidate
SMILESC=C(/N=C(\C)OC)c1cccc(C)c1
InChIInChI=1S/C12H15NO/c1-9-6-5-7-12(8-9)10(2)13-11(3)14-4/h5-8H,2H2,1,3-4H3/b13-11+
InChIKeyGVRNZFXJRDZODX-ACCUITESSA-N
MW189.26 g/mol
LogP3.03
Rot. Bonds2

About methyl N-[1-(3-methylphenyl)ethenyl]ethanimidate

methyl N-[1-(3-methylphenyl)ethenyl]ethanimidate (PubChem CID 143876122) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is methyl N-[1-(3-methylphenyl)ethenyl]ethanimidate.

Molecular Properties

Compound Namemethyl N-[1-(3-methylphenyl)ethenyl]ethanimidate
PubChem CID143876122
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Namemethyl N-[1-(3-methylphenyl)ethenyl]ethanimidate
SMILESC=C(/N=C(\C)OC)c1cccc(C)c1
InChIInChI=1S/C12H15NO/c1-9-6-5-7-12(8-9)10(2)13-11(3)14-4/h5-8H,2H2,1,3-4H3/b13-11+
InChIKeyGVRNZFXJRDZODX-ACCUITESSA-N
XLogP3.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
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

ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene
CID 142829669
methyl 2-[(3-methylbenzoyl)amino]prop-2-enoate
CID 123522259
N-[1-(3-methylphenyl)ethenyl]hydroxylamine
CID 142051233
prop-1-en-2-yl N,3-dimethylbenzenecarboximidate
CID 143185658
(E)-1-(3-methylphenyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]ethanimine
CID 138967495
1-(3-methylphenyl)ethenylhydrazine
CID 129060271
1-(3-methoxy-3-methylbut-1-en-2-yl)-3-methylbenzene
CID 143192963
3-(3-methylphenyl)but-3-enenitrile
CID 166829284
trimethyl-[1-(3-methylphenyl)ethenoxy]silane
CID 15274400
ethane;N-[(1Z)-3-(3-methylphenyl)buta-1,3-dienyl]propan-2-imine
CID 145022260
1-methyl-3-[1-(3-methylbut-2-en-2-ylsulfanyl)ethenyl]benzene
CID 142235703
2-[1-(3-methylphenyl)ethylidene]propanedinitrile
CID 86671851

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(3-methylphenyl)ethenyl]ethanimidate?
The IUPAC name of methyl N-[1-(3-methylphenyl)ethenyl]ethanimidate (CID 143876122) is methyl N-[1-(3-methylphenyl)ethenyl]ethanimidate.
What is the SMILES notation for methyl N-[1-(3-methylphenyl)ethenyl]ethanimidate?
The canonical SMILES for methyl N-[1-(3-methylphenyl)ethenyl]ethanimidate is C=C(/N=C(\C)OC)c1cccc(C)c1.
What is the InChIKey of methyl N-[1-(3-methylphenyl)ethenyl]ethanimidate?
The InChIKey is GVRNZFXJRDZODX-ACCUITESSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-6-5-7-12(8-9)10(2)13-11(3)14-4/h5-8H,2H2,1,3-4H3/b13-11+.
What are the key properties of methyl N-[1-(3-methylphenyl)ethenyl]ethanimidate?
methyl N-[1-(3-methylphenyl)ethenyl]ethanimidate has a molecular weight of 189.26 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(3-methylphenyl)ethenyl]ethanimidate is sourced from PubChem (CID 143876122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).