ethyl N-naphthalen-2-ylcarbamate

C13H13NO2 — CID 611995

IUPACethyl N-naphthalen-2-ylcarbamate
SMILESCCOC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C13H13NO2/c1-2-16-13(15)14-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3,(H,14,15)
InChIKeyZSPLIQCHGCWFCS-UHFFFAOYSA-N
MW215.25 g/mol
LogP3.41
Rot. Bonds2

About ethyl N-naphthalen-2-ylcarbamate

ethyl N-naphthalen-2-ylcarbamate (PubChem CID 611995) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl N-naphthalen-2-ylcarbamate.

Molecular Properties

Compound Nameethyl N-naphthalen-2-ylcarbamate
PubChem CID611995
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Nameethyl N-naphthalen-2-ylcarbamate
SMILESCCOC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C13H13NO2/c1-2-16-13(15)14-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3,(H,14,15)
InChIKeyZSPLIQCHGCWFCS-UHFFFAOYSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-naphthalen-2-ylcarbamate?
The IUPAC name of ethyl N-naphthalen-2-ylcarbamate (CID 611995) is ethyl N-naphthalen-2-ylcarbamate.
What is the SMILES notation for ethyl N-naphthalen-2-ylcarbamate?
The canonical SMILES for ethyl N-naphthalen-2-ylcarbamate is CCOC(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of ethyl N-naphthalen-2-ylcarbamate?
The InChIKey is ZSPLIQCHGCWFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-16-13(15)14-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3,(H,14,15).
What are the key properties of ethyl N-naphthalen-2-ylcarbamate?
ethyl N-naphthalen-2-ylcarbamate has a molecular weight of 215.25 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-naphthalen-2-ylcarbamate is sourced from PubChem (CID 611995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).