benzene;ethane;methyl N-methylcarbamate

C11H19NO2 — CID 91045757

IUPACbenzene;ethane;methyl N-methylcarbamate
SMILESCC.CNC(=O)OC.c1ccccc1
InChIInChI=1S/C6H6.C3H7NO2.C2H6/c1-2-4-6-5-3-1;1-4-3(5)6-2;1-2/h1-6H;1-2H3,(H,4,5);1-2H3
InChIKeyBJQGSUGLGPPDHF-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.68
Rot. Bonds

About benzene;ethane;methyl N-methylcarbamate

benzene;ethane;methyl N-methylcarbamate (PubChem CID 91045757) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is benzene;ethane;methyl N-methylcarbamate.

Molecular Properties

Compound Namebenzene;ethane;methyl N-methylcarbamate
PubChem CID91045757
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namebenzene;ethane;methyl N-methylcarbamate
SMILESCC.CNC(=O)OC.c1ccccc1
InChIInChI=1S/C6H6.C3H7NO2.C2H6/c1-2-4-6-5-3-1;1-4-3(5)6-2;1-2/h1-6H;1-2H3,(H,4,5);1-2H3
InChIKeyBJQGSUGLGPPDHF-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;methyl N-methylcarbamate?
The IUPAC name of benzene;ethane;methyl N-methylcarbamate (CID 91045757) is benzene;ethane;methyl N-methylcarbamate.
What is the SMILES notation for benzene;ethane;methyl N-methylcarbamate?
The canonical SMILES for benzene;ethane;methyl N-methylcarbamate is CC.CNC(=O)OC.c1ccccc1.
What is the InChIKey of benzene;ethane;methyl N-methylcarbamate?
The InChIKey is BJQGSUGLGPPDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H7NO2.C2H6/c1-2-4-6-5-3-1;1-4-3(5)6-2;1-2/h1-6H;1-2H3,(H,4,5);1-2H3.
What are the key properties of benzene;ethane;methyl N-methylcarbamate?
benzene;ethane;methyl N-methylcarbamate has a molecular weight of 197.28 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;methyl N-methylcarbamate is sourced from PubChem (CID 91045757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).