benzene;methyl N-methylcarbamate

C9H13NO2 — CID 90918187

IUPACbenzene;methyl N-methylcarbamate
SMILESCNC(=O)OC.c1ccccc1
InChIInChI=1S/C6H6.C3H7NO2/c1-2-4-6-5-3-1;1-4-3(5)6-2/h1-6H;1-2H3,(H,4,5)
InChIKeyVEWHKWVYADTTGW-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.66
Rot. Bonds

About benzene;methyl N-methylcarbamate

benzene;methyl N-methylcarbamate (PubChem CID 90918187) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is benzene;methyl N-methylcarbamate.

Molecular Properties

Compound Namebenzene;methyl N-methylcarbamate
PubChem CID90918187
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Namebenzene;methyl N-methylcarbamate
SMILESCNC(=O)OC.c1ccccc1
InChIInChI=1S/C6H6.C3H7NO2/c1-2-4-6-5-3-1;1-4-3(5)6-2/h1-6H;1-2H3,(H,4,5)
InChIKeyVEWHKWVYADTTGW-UHFFFAOYSA-N
XLogP1.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzene;methyl N-methylcarbamate?
The IUPAC name of benzene;methyl N-methylcarbamate (CID 90918187) is benzene;methyl N-methylcarbamate.
What is the SMILES notation for benzene;methyl N-methylcarbamate?
The canonical SMILES for benzene;methyl N-methylcarbamate is CNC(=O)OC.c1ccccc1.
What is the InChIKey of benzene;methyl N-methylcarbamate?
The InChIKey is VEWHKWVYADTTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H7NO2/c1-2-4-6-5-3-1;1-4-3(5)6-2/h1-6H;1-2H3,(H,4,5).
What are the key properties of benzene;methyl N-methylcarbamate?
benzene;methyl N-methylcarbamate has a molecular weight of 167.21 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methyl N-methylcarbamate is sourced from PubChem (CID 90918187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).