naphthalen-1-ylmethyl N-methylcarbamate

C13H13NO2 — CID 23548416

IUPACnaphthalen-1-ylmethyl N-methylcarbamate
SMILESCNC(=O)OCc1cccc2ccccc12
InChIInChI=1S/C13H13NO2/c1-14-13(15)16-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3,(H,14,15)
InChIKeyATJBFJLLCRXPNX-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.70
Rot. Bonds2

About naphthalen-1-ylmethyl N-methylcarbamate

naphthalen-1-ylmethyl N-methylcarbamate (PubChem CID 23548416) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is naphthalen-1-ylmethyl N-methylcarbamate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl N-methylcarbamate
PubChem CID23548416
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Namenaphthalen-1-ylmethyl N-methylcarbamate
SMILESCNC(=O)OCc1cccc2ccccc12
InChIInChI=1S/C13H13NO2/c1-14-13(15)16-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3,(H,14,15)
InChIKeyATJBFJLLCRXPNX-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze naphthalen-1-ylmethyl N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl N-methylcarbamate?
The IUPAC name of naphthalen-1-ylmethyl N-methylcarbamate (CID 23548416) is naphthalen-1-ylmethyl N-methylcarbamate.
What is the SMILES notation for naphthalen-1-ylmethyl N-methylcarbamate?
The canonical SMILES for naphthalen-1-ylmethyl N-methylcarbamate is CNC(=O)OCc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-ylmethyl N-methylcarbamate?
The InChIKey is ATJBFJLLCRXPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-14-13(15)16-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3,(H,14,15).
What are the key properties of naphthalen-1-ylmethyl N-methylcarbamate?
naphthalen-1-ylmethyl N-methylcarbamate has a molecular weight of 215.25 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl N-methylcarbamate is sourced from PubChem (CID 23548416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).