ethyl N-methylcarbamate;toluene

C11H17NO2 — CID 70509150

IUPACethyl N-methylcarbamate;toluene
SMILESCCOC(=O)NC.Cc1ccccc1
InChIInChI=1S/C7H8.C4H9NO2/c1-7-5-3-2-4-6-7;1-3-7-4(6)5-2/h2-6H,1H3;3H2,1-2H3,(H,5,6)
InChIKeyZDUNYGJCTDWLMW-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.36
Rot. Bonds1

About ethyl N-methylcarbamate;toluene

ethyl N-methylcarbamate;toluene (PubChem CID 70509150) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is ethyl N-methylcarbamate;toluene.

Molecular Properties

Compound Nameethyl N-methylcarbamate;toluene
PubChem CID70509150
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameethyl N-methylcarbamate;toluene
SMILESCCOC(=O)NC.Cc1ccccc1
InChIInChI=1S/C7H8.C4H9NO2/c1-7-5-3-2-4-6-7;1-3-7-4(6)5-2/h2-6H,1H3;3H2,1-2H3,(H,5,6)
InChIKeyZDUNYGJCTDWLMW-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-methylcarbamate;toluene?
The IUPAC name of ethyl N-methylcarbamate;toluene (CID 70509150) is ethyl N-methylcarbamate;toluene.
What is the SMILES notation for ethyl N-methylcarbamate;toluene?
The canonical SMILES for ethyl N-methylcarbamate;toluene is CCOC(=O)NC.Cc1ccccc1.
What is the InChIKey of ethyl N-methylcarbamate;toluene?
The InChIKey is ZDUNYGJCTDWLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C4H9NO2/c1-7-5-3-2-4-6-7;1-3-7-4(6)5-2/h2-6H,1H3;3H2,1-2H3,(H,5,6).
What are the key properties of ethyl N-methylcarbamate;toluene?
ethyl N-methylcarbamate;toluene has a molecular weight of 195.26 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methylcarbamate;toluene is sourced from PubChem (CID 70509150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).