benzene;ethyl carbamate

C9H13NO2 — CID 67394329

IUPACbenzene;ethyl carbamate
SMILESCCOC(N)=O.c1ccccc1
InChIInChI=1S/C6H6.C3H7NO2/c1-2-4-6-5-3-1;1-2-6-3(4)5/h1-6H;2H2,1H3,(H2,4,5)
InChIKeyDPZCUXGDLHNWCB-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.79
Rot. Bonds1

About benzene;ethyl carbamate

benzene;ethyl carbamate (PubChem CID 67394329) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is benzene;ethyl carbamate.

Molecular Properties

Compound Namebenzene;ethyl carbamate
PubChem CID67394329
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Namebenzene;ethyl carbamate
SMILESCCOC(N)=O.c1ccccc1
InChIInChI=1S/C6H6.C3H7NO2/c1-2-4-6-5-3-1;1-2-6-3(4)5/h1-6H;2H2,1H3,(H2,4,5)
InChIKeyDPZCUXGDLHNWCB-UHFFFAOYSA-N
XLogP1.79
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzene;ethyl carbamate?
The IUPAC name of benzene;ethyl carbamate (CID 67394329) is benzene;ethyl carbamate.
What is the SMILES notation for benzene;ethyl carbamate?
The canonical SMILES for benzene;ethyl carbamate is CCOC(N)=O.c1ccccc1.
What is the InChIKey of benzene;ethyl carbamate?
The InChIKey is DPZCUXGDLHNWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H7NO2/c1-2-4-6-5-3-1;1-2-6-3(4)5/h1-6H;2H2,1H3,(H2,4,5).
What are the key properties of benzene;ethyl carbamate?
benzene;ethyl carbamate has a molecular weight of 167.21 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethyl carbamate is sourced from PubChem (CID 67394329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).