benzene;ethyl N-methylcarbamate

C10H15NO2 — CID 70513161

IUPACbenzene;ethyl N-methylcarbamate
SMILESCCOC(=O)NC.c1ccccc1
InChIInChI=1S/C6H6.C4H9NO2/c1-2-4-6-5-3-1;1-3-7-4(6)5-2/h1-6H;3H2,1-2H3,(H,5,6)
InChIKeyGQHNJQJKIZUYLU-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.05
Rot. Bonds1

About benzene;ethyl N-methylcarbamate

benzene;ethyl N-methylcarbamate (PubChem CID 70513161) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is benzene;ethyl N-methylcarbamate.

Molecular Properties

Compound Namebenzene;ethyl N-methylcarbamate
PubChem CID70513161
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Namebenzene;ethyl N-methylcarbamate
SMILESCCOC(=O)NC.c1ccccc1
InChIInChI=1S/C6H6.C4H9NO2/c1-2-4-6-5-3-1;1-3-7-4(6)5-2/h1-6H;3H2,1-2H3,(H,5,6)
InChIKeyGQHNJQJKIZUYLU-UHFFFAOYSA-N
XLogP2.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzene;ethyl N-methylcarbamate?
The IUPAC name of benzene;ethyl N-methylcarbamate (CID 70513161) is benzene;ethyl N-methylcarbamate.
What is the SMILES notation for benzene;ethyl N-methylcarbamate?
The canonical SMILES for benzene;ethyl N-methylcarbamate is CCOC(=O)NC.c1ccccc1.
What is the InChIKey of benzene;ethyl N-methylcarbamate?
The InChIKey is GQHNJQJKIZUYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H9NO2/c1-2-4-6-5-3-1;1-3-7-4(6)5-2/h1-6H;3H2,1-2H3,(H,5,6).
What are the key properties of benzene;ethyl N-methylcarbamate?
benzene;ethyl N-methylcarbamate has a molecular weight of 181.23 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethyl N-methylcarbamate is sourced from PubChem (CID 70513161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).