methyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate

C10H12N2O3 — CID 135740500

IUPACmethyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate
SMILESCO/N=C(\NC(=O)OC)c1ccccc1
InChIInChI=1S/C10H12N2O3/c1-14-10(13)11-9(12-15-2)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12,13)
InChIKeyLQFVKOPOCPLZBH-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.35
Rot. Bonds2

About methyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate

methyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate (PubChem CID 135740500) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is methyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate
PubChem CID135740500
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Namemethyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate
SMILESCO/N=C(\NC(=O)OC)c1ccccc1
InChIInChI=1S/C10H12N2O3/c1-14-10(13)11-9(12-15-2)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12,13)
InChIKeyLQFVKOPOCPLZBH-UHFFFAOYSA-N
XLogP1.35
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-(N-methoxy-C-phenylcarbonimidoyl)carbamate
CID 135526711
3-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1,1-dimethylurea
CID 135603545
N'-methoxybenzenecarboximidamide
CID 10678407
(3E)-3-methoxyimino-1-phenylbutan-1-one
CID 14615206
methyl (Z)-3-(methoxycarbonylamino)-2,3-diphenylprop-2-enoate
CID 57388071
methyl N-(2-benzoyl-3-oxo-3-phenylpropanoyl)carbamate
CID 15153385
(2E)-2-methoxyimino-N-methyl-2-phenylacetamide
CID 18413242
phenyl N-(N-tert-butyl-C-phenylcarbonimidoyl)carbamate
CID 23660943
[(Z)-[acetamido(phenyl)methylidene]amino] benzoate
CID 135525655
methyl N-(1-phenylbut-1-enyl)carbamate
CID 131886313
methyl N-[(E)-C-ethyl-N-phenylmethoxycarbonimidoyl]carbamate
CID 135478845
methyl N-(phenylcarbamoyl)carbamate
CID 13097714

Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate?
The IUPAC name of methyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate (CID 135740500) is methyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate.
What is the SMILES notation for methyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate?
The canonical SMILES for methyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate is CO/N=C(\NC(=O)OC)c1ccccc1.
What is the InChIKey of methyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate?
The InChIKey is LQFVKOPOCPLZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-14-10(13)11-9(12-15-2)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12,13).
What are the key properties of methyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate?
methyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate has a molecular weight of 208.22 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate is sourced from PubChem (CID 135740500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).