methyl N-acetylbenzenecarboximidate

C10H11NO2 — CID 13028603

IUPACmethyl N-acetylbenzenecarboximidate
SMILESCO/C(=N\C(C)=O)c1ccccc1
InChIInChI=1S/C10H11NO2/c1-8(12)11-10(13-2)9-6-4-3-5-7-9/h3-7H,1-2H3/b11-10-
InChIKeyIJSAFWZOHJLKIT-KHPPLWFESA-N
MW177.20 g/mol
LogP1.63
Rot. Bonds1

About methyl N-acetylbenzenecarboximidate

methyl N-acetylbenzenecarboximidate (PubChem CID 13028603) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is methyl N-acetylbenzenecarboximidate.

Molecular Properties

Compound Namemethyl N-acetylbenzenecarboximidate
PubChem CID13028603
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Namemethyl N-acetylbenzenecarboximidate
SMILESCO/C(=N\C(C)=O)c1ccccc1
InChIInChI=1S/C10H11NO2/c1-8(12)11-10(13-2)9-6-4-3-5-7-9/h3-7H,1-2H3/b11-10-
InChIKeyIJSAFWZOHJLKIT-KHPPLWFESA-N
XLogP1.63
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.63
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-methoxycarbonylbenzenecarboximidate
CID 86114469
methyl N-methylbenzenecarboximidate
CID 519475
methyl N-hydroxybenzenecarboximidate
CID 583889
methyl N-[4-[[methoxy(phenyl)methylidene]amino]phenyl]benzenecarboximidate
CID 122577864
(2E)-2-methoxyimino-N-methyl-2-phenylacetamide
CID 18413242
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
methyl N-[(Z)-(2-oxo-1-phenylpropylidene)amino]carbamate
CID 6309358
ethane;methoxymethane;methyl benzoate
CID 90999424
benzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one)
CID 160674424
3-methoxy-2-methyl-3-phenylprop-2-enoic acid
CID 57324055
ethyl 2-[[methoxy(phenyl)methylidene]amino]-2-methylpropanoate
CID 101035692

Frequently Asked Questions

What is the IUPAC name of methyl N-acetylbenzenecarboximidate?
The IUPAC name of methyl N-acetylbenzenecarboximidate (CID 13028603) is methyl N-acetylbenzenecarboximidate.
What is the SMILES notation for methyl N-acetylbenzenecarboximidate?
The canonical SMILES for methyl N-acetylbenzenecarboximidate is CO/C(=N\C(C)=O)c1ccccc1.
What is the InChIKey of methyl N-acetylbenzenecarboximidate?
The InChIKey is IJSAFWZOHJLKIT-KHPPLWFESA-N. The full InChI is InChI=1S/C10H11NO2/c1-8(12)11-10(13-2)9-6-4-3-5-7-9/h3-7H,1-2H3/b11-10-.
What are the key properties of methyl N-acetylbenzenecarboximidate?
methyl N-acetylbenzenecarboximidate has a molecular weight of 177.20 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-acetylbenzenecarboximidate is sourced from PubChem (CID 13028603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).