benzyl N-methylcarbamate

C9H11NO2 — CID 562265

IUPACbenzyl N-methylcarbamate
SMILESCNC(=O)OCc1ccccc1
InChIInChI=1S/C9H11NO2/c1-10-9(11)12-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)
InChIKeyQMDPEBMTDBSGAE-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.54
Rot. Bonds2

About benzyl N-methylcarbamate

benzyl N-methylcarbamate (PubChem CID 562265) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is benzyl N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-methylcarbamate
PubChem CID562265
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Namebenzyl N-methylcarbamate
SMILESCNC(=O)OCc1ccccc1
InChIInChI=1S/C9H11NO2/c1-10-9(11)12-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)
InChIKeyQMDPEBMTDBSGAE-UHFFFAOYSA-N
XLogP1.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl N-methylcarbamate?
The IUPAC name of benzyl N-methylcarbamate (CID 562265) is benzyl N-methylcarbamate.
What is the SMILES notation for benzyl N-methylcarbamate?
The canonical SMILES for benzyl N-methylcarbamate is CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-methylcarbamate?
The InChIKey is QMDPEBMTDBSGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-10-9(11)12-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11).
What are the key properties of benzyl N-methylcarbamate?
benzyl N-methylcarbamate has a molecular weight of 165.19 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methylcarbamate is sourced from PubChem (CID 562265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).