methyl N-methylbenzenecarboximidate

C9H11NO — CID 519475

IUPACmethyl N-methylbenzenecarboximidate
SMILESC/N=C(\OC)c1ccccc1
InChIInChI=1S/C9H11NO/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7H,1-2H3/b10-9-
InChIKeyODCHIEXXFGKZNZ-KTKRTIGZSA-N
MW149.19 g/mol
LogP1.71
Rot. Bonds1

About methyl N-methylbenzenecarboximidate

methyl N-methylbenzenecarboximidate (PubChem CID 519475) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is methyl N-methylbenzenecarboximidate.

Molecular Properties

Compound Namemethyl N-methylbenzenecarboximidate
PubChem CID519475
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Namemethyl N-methylbenzenecarboximidate
SMILESC/N=C(\OC)c1ccccc1
InChIInChI=1S/C9H11NO/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7H,1-2H3/b10-9-
InChIKeyODCHIEXXFGKZNZ-KTKRTIGZSA-N
XLogP1.71
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.71
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

methyl N-hydroxybenzenecarboximidate
CID 583889
methyl N-[4-[[methoxy(phenyl)methylidene]amino]phenyl]benzenecarboximidate
CID 122577864
methoxysulfonyl N-methylbenzenecarboximidate
CID 151610098
methyl N-acetylbenzenecarboximidate
CID 13028603
methyl N-methoxycarbonylbenzenecarboximidate
CID 86114469
(2,5-dihydroxypyrrol-1-yl) N-methylbenzenecarboximidate
CID 91421363
methyl (Z)-N-[phenyl(trimethylsilyl)methyl]benzenecarboximidate
CID 11098524
[methoxy(phenyl)methylidene]manganese
CID 134898444
methyl N-[(1S,2S)-2-cyanocyclopropyl]benzenecarboximidate
CID 11571974
methyl N-(2-benzoyl-4-chlorophenyl)benzenecarboximidate
CID 139227476
1-ditert-butylphosphanyl-N-methyl-1-phenylmethanimine
CID 159340779
ethyl 2-[[methoxy(phenyl)methylidene]amino]-2-methylpropanoate
CID 101035692

Frequently Asked Questions

What is the IUPAC name of methyl N-methylbenzenecarboximidate?
The IUPAC name of methyl N-methylbenzenecarboximidate (CID 519475) is methyl N-methylbenzenecarboximidate.
What is the SMILES notation for methyl N-methylbenzenecarboximidate?
The canonical SMILES for methyl N-methylbenzenecarboximidate is C/N=C(\OC)c1ccccc1.
What is the InChIKey of methyl N-methylbenzenecarboximidate?
The InChIKey is ODCHIEXXFGKZNZ-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H11NO/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7H,1-2H3/b10-9-.
What are the key properties of methyl N-methylbenzenecarboximidate?
methyl N-methylbenzenecarboximidate has a molecular weight of 149.19 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methylbenzenecarboximidate is sourced from PubChem (CID 519475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).