methyl N-phenylcarbamate

C8H9NO2 — CID 17451

IUPACmethyl N-phenylcarbamate
SMILESCOC(=O)Nc1ccccc1
InChIInChI=1S/C8H9NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
InChIKeyIAGUPODHENSJEZ-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.86
Rot. Bonds1

About methyl N-phenylcarbamate

methyl N-phenylcarbamate (PubChem CID 17451) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is methyl N-phenylcarbamate.

Molecular Properties

Compound Namemethyl N-phenylcarbamate
PubChem CID17451
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Namemethyl N-phenylcarbamate
SMILESCOC(=O)Nc1ccccc1
InChIInChI=1S/C8H9NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
InChIKeyIAGUPODHENSJEZ-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-phenylcarbamate?
The IUPAC name of methyl N-phenylcarbamate (CID 17451) is methyl N-phenylcarbamate.
What is the SMILES notation for methyl N-phenylcarbamate?
The canonical SMILES for methyl N-phenylcarbamate is COC(=O)Nc1ccccc1.
What is the InChIKey of methyl N-phenylcarbamate?
The InChIKey is IAGUPODHENSJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10).
What are the key properties of methyl N-phenylcarbamate?
methyl N-phenylcarbamate has a molecular weight of 151.16 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-phenylcarbamate is sourced from PubChem (CID 17451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).