[2-[(Z)-methylcarbamoyloxyiminomethyl]phenyl] N-methylcarbamate

C11H13N3O4 — CID 6516895

IUPAC[2-[(Z)-methylcarbamoyloxyiminomethyl]phenyl] N-methylcarbamate
SMILESCNC(=O)O/N=C\c1ccccc1OC(=O)NC
InChIInChI=1S/C11H13N3O4/c1-12-10(15)17-9-6-4-3-5-8(9)7-14-18-11(16)13-2/h3-7H,1-2H3,(H,12,15)(H,13,16)/b14-7-
InChIKeyAHNIUPUJGQCNBZ-AUWJEWJLSA-N
MW251.24 g/mol
LogP1.09
Rot. Bonds3

About [2-[(Z)-methylcarbamoyloxyiminomethyl]phenyl] N-methylcarbamate

[2-[(Z)-methylcarbamoyloxyiminomethyl]phenyl] N-methylcarbamate (PubChem CID 6516895) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is [2-[(Z)-methylcarbamoyloxyiminomethyl]phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[2-[(Z)-methylcarbamoyloxyiminomethyl]phenyl] N-methylcarbamate
PubChem CID6516895
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name[2-[(Z)-methylcarbamoyloxyiminomethyl]phenyl] N-methylcarbamate
SMILESCNC(=O)O/N=C\c1ccccc1OC(=O)NC
InChIInChI=1S/C11H13N3O4/c1-12-10(15)17-9-6-4-3-5-8(9)7-14-18-11(16)13-2/h3-7H,1-2H3,(H,12,15)(H,13,16)/b14-7-
InChIKeyAHNIUPUJGQCNBZ-AUWJEWJLSA-N
XLogP1.09
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-(2-methyl-2-methylsulfanylpropylidene)amino] N-methylcarbamate;naphthalen-1-yl N-methylcarbamate
CID 87504977
calcium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173073118
naphthalen-1-yl N-methylcarbamate
CID 23447097
[2-(methylcarbamoyloxy)benzoyl] 2-(methylcarbamoyloxy)benzenecarboperoxoate
CID 53245201
[2-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] acetate
CID 25251494
(2-prop-2-enoxyphenyl) N-methylcarbamate
CID 19983
[(2-methoxyphenyl)methylideneamino] 2,3,3-trichloroprop-2-enoate
CID 54323517
(2-dimethylarsanylphenyl) N-methylcarbamate;iodomethane
CID 23621979
[2-(tert-butyliminomethyl)phenyl] acetate
CID 15905761
magnesium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173327127
[2-(methylcarbamoyloxy)phenyl]methyl benzoate
CID 54157847
[2-(2,3-dichloropropyl)phenyl] N-methylcarbamate
CID 54093839

Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-methylcarbamoyloxyiminomethyl]phenyl] N-methylcarbamate?
The IUPAC name of [2-[(Z)-methylcarbamoyloxyiminomethyl]phenyl] N-methylcarbamate (CID 6516895) is [2-[(Z)-methylcarbamoyloxyiminomethyl]phenyl] N-methylcarbamate.
What is the SMILES notation for [2-[(Z)-methylcarbamoyloxyiminomethyl]phenyl] N-methylcarbamate?
The canonical SMILES for [2-[(Z)-methylcarbamoyloxyiminomethyl]phenyl] N-methylcarbamate is CNC(=O)O/N=C\c1ccccc1OC(=O)NC.
What is the InChIKey of [2-[(Z)-methylcarbamoyloxyiminomethyl]phenyl] N-methylcarbamate?
The InChIKey is AHNIUPUJGQCNBZ-AUWJEWJLSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-12-10(15)17-9-6-4-3-5-8(9)7-14-18-11(16)13-2/h3-7H,1-2H3,(H,12,15)(H,13,16)/b14-7-.
What are the key properties of [2-[(Z)-methylcarbamoyloxyiminomethyl]phenyl] N-methylcarbamate?
[2-[(Z)-methylcarbamoyloxyiminomethyl]phenyl] N-methylcarbamate has a molecular weight of 251.24 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-methylcarbamoyloxyiminomethyl]phenyl] N-methylcarbamate is sourced from PubChem (CID 6516895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).