(2-dimethylarsanylphenyl) N-methylcarbamate;iodomethane

C11H17AsINO2 — CID 23621979

IUPAC(2-dimethylarsanylphenyl) N-methylcarbamate;iodomethane
SMILESCI.CNC(=O)Oc1ccccc1[As](C)C
InChIInChI=1S/C10H14AsNO2.CH3I/c1-11(2)8-6-4-5-7-9(8)14-10(13)12-3;1-2/h4-7H,1-3H3,(H,12,13);1H3
InChIKeyLHNZHFNDISXXCS-UHFFFAOYSA-N
MW397.09 g/mol
LogP2.42
Rot. Bonds2

About (2-dimethylarsanylphenyl) N-methylcarbamate;iodomethane

(2-dimethylarsanylphenyl) N-methylcarbamate;iodomethane (PubChem CID 23621979) has the molecular formula C11H17AsINO2 and a molecular weight of 397.09 g/mol. Its IUPAC name is (2-dimethylarsanylphenyl) N-methylcarbamate;iodomethane.

Molecular Properties

Compound Name(2-dimethylarsanylphenyl) N-methylcarbamate;iodomethane
PubChem CID23621979
Molecular FormulaC11H17AsINO2
Molecular Weight397.09 g/mol
Exact Mass396.95
IUPAC Name(2-dimethylarsanylphenyl) N-methylcarbamate;iodomethane
SMILESCI.CNC(=O)Oc1ccccc1[As](C)C
InChIInChI=1S/C10H14AsNO2.CH3I/c1-11(2)8-6-4-5-7-9(8)14-10(13)12-3;1-2/h4-7H,1-3H3,(H,12,13);1H3
InChIKeyLHNZHFNDISXXCS-UHFFFAOYSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.09
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

naphthalen-1-yl N-methylcarbamate
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[2-(methylcarbamoyloxy)benzoyl] 2-(methylcarbamoyloxy)benzenecarboperoxoate
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(3-dimethylarsanylphenyl) N-methylcarbamate;iodomethane
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calcium;hydride;naphthalen-1-yl N-methylcarbamate
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magnesium;hydride;naphthalen-1-yl N-methylcarbamate
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(2-prop-2-enoxyphenyl) N-methylcarbamate
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(2-butan-2-ylphenyl) N-methylcarbamate
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(2,3-dichlorophenyl) N-methylcarbamate;hydrochloride
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[2-(butylsulfanylmethyl)phenyl] N-methylcarbamate
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[2-[(Z)-methylcarbamoyloxyiminomethyl]phenyl] N-methylcarbamate
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ethyl 2-[2-(methylcarbamoyloxy)phenyl]sulfanylpropanoate
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Frequently Asked Questions

What is the IUPAC name of (2-dimethylarsanylphenyl) N-methylcarbamate;iodomethane?
The IUPAC name of (2-dimethylarsanylphenyl) N-methylcarbamate;iodomethane (CID 23621979) is (2-dimethylarsanylphenyl) N-methylcarbamate;iodomethane.
What is the SMILES notation for (2-dimethylarsanylphenyl) N-methylcarbamate;iodomethane?
The canonical SMILES for (2-dimethylarsanylphenyl) N-methylcarbamate;iodomethane is CI.CNC(=O)Oc1ccccc1[As](C)C.
What is the InChIKey of (2-dimethylarsanylphenyl) N-methylcarbamate;iodomethane?
The InChIKey is LHNZHFNDISXXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14AsNO2.CH3I/c1-11(2)8-6-4-5-7-9(8)14-10(13)12-3;1-2/h4-7H,1-3H3,(H,12,13);1H3.
What are the key properties of (2-dimethylarsanylphenyl) N-methylcarbamate;iodomethane?
(2-dimethylarsanylphenyl) N-methylcarbamate;iodomethane has a molecular weight of 397.09 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-dimethylarsanylphenyl) N-methylcarbamate;iodomethane is sourced from PubChem (CID 23621979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).