methyl N-methoxycarbonylbenzenecarboximidate

C10H11NO3 — CID 86114469

IUPACmethyl N-methoxycarbonylbenzenecarboximidate
SMILESCOC(=O)N=C(OC)c1ccccc1
InChIInChI=1S/C10H11NO3/c1-13-9(11-10(12)14-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyNSCKXYOAPFUXBU-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.85
Rot. Bonds1

About methyl N-methoxycarbonylbenzenecarboximidate

methyl N-methoxycarbonylbenzenecarboximidate (PubChem CID 86114469) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl N-methoxycarbonylbenzenecarboximidate.

Molecular Properties

Compound Namemethyl N-methoxycarbonylbenzenecarboximidate
PubChem CID86114469
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl N-methoxycarbonylbenzenecarboximidate
SMILESCOC(=O)N=C(OC)c1ccccc1
InChIInChI=1S/C10H11NO3/c1-13-9(11-10(12)14-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyNSCKXYOAPFUXBU-UHFFFAOYSA-N
XLogP1.85
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.85
H-Bond Donors ≤ 50
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

methyl N-acetylbenzenecarboximidate
CID 13028603
methyl N-(2,2-dimethyl-1-phenylpropylidene)carbamate
CID 74010338
methyl N-hydroxybenzenecarboximidate
CID 583889
methyl N-methylbenzenecarboximidate
CID 519475
methyl N-[4-[[methoxy(phenyl)methylidene]amino]phenyl]benzenecarboximidate
CID 122577864
methyl (NE)-N-[(dimethylaminomethylideneamino)-phenylmethylidene]carbamate
CID 10752103
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
benzyl (E)-N-phenylmethoxycarbonylbenzenecarboximidate
CID 10472737
ethane;methoxymethane;methyl benzoate
CID 90999424
ethyl 2-[[methoxy(phenyl)methylidene]amino]-2-methylpropanoate
CID 101035692
(2E)-2-methoxyimino-N-methyl-2-phenylacetamide
CID 18413242

Frequently Asked Questions

What is the IUPAC name of methyl N-methoxycarbonylbenzenecarboximidate?
The IUPAC name of methyl N-methoxycarbonylbenzenecarboximidate (CID 86114469) is methyl N-methoxycarbonylbenzenecarboximidate.
What is the SMILES notation for methyl N-methoxycarbonylbenzenecarboximidate?
The canonical SMILES for methyl N-methoxycarbonylbenzenecarboximidate is COC(=O)N=C(OC)c1ccccc1.
What is the InChIKey of methyl N-methoxycarbonylbenzenecarboximidate?
The InChIKey is NSCKXYOAPFUXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-13-9(11-10(12)14-2)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of methyl N-methoxycarbonylbenzenecarboximidate?
methyl N-methoxycarbonylbenzenecarboximidate has a molecular weight of 193.20 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methoxycarbonylbenzenecarboximidate is sourced from PubChem (CID 86114469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).