(1-methylnaphthalen-2-yl) N,N-dimethylcarbamate

C14H15NO2 — CID 70695214

IUPAC(1-methylnaphthalen-2-yl) N,N-dimethylcarbamate
SMILESCc1c(OC(=O)N(C)C)ccc2ccccc12
InChIInChI=1S/C14H15NO2/c1-10-12-7-5-4-6-11(12)8-9-13(10)17-14(16)15(2)3/h4-9H,1-3H3
InChIKeyZPZNPECUUZEXEV-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.21
Rot. Bonds1

About (1-methylnaphthalen-2-yl) N,N-dimethylcarbamate

(1-methylnaphthalen-2-yl) N,N-dimethylcarbamate (PubChem CID 70695214) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is (1-methylnaphthalen-2-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(1-methylnaphthalen-2-yl) N,N-dimethylcarbamate
PubChem CID70695214
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name(1-methylnaphthalen-2-yl) N,N-dimethylcarbamate
SMILESCc1c(OC(=O)N(C)C)ccc2ccccc12
InChIInChI=1S/C14H15NO2/c1-10-12-7-5-4-6-11(12)8-9-13(10)17-14(16)15(2)3/h4-9H,1-3H3
InChIKeyZPZNPECUUZEXEV-UHFFFAOYSA-N
XLogP3.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methylnaphthalen-2-yl) N,N-dimethylcarbamate?
The IUPAC name of (1-methylnaphthalen-2-yl) N,N-dimethylcarbamate (CID 70695214) is (1-methylnaphthalen-2-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (1-methylnaphthalen-2-yl) N,N-dimethylcarbamate?
The canonical SMILES for (1-methylnaphthalen-2-yl) N,N-dimethylcarbamate is Cc1c(OC(=O)N(C)C)ccc2ccccc12.
What is the InChIKey of (1-methylnaphthalen-2-yl) N,N-dimethylcarbamate?
The InChIKey is ZPZNPECUUZEXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10-12-7-5-4-6-11(12)8-9-13(10)17-14(16)15(2)3/h4-9H,1-3H3.
What are the key properties of (1-methylnaphthalen-2-yl) N,N-dimethylcarbamate?
(1-methylnaphthalen-2-yl) N,N-dimethylcarbamate has a molecular weight of 229.28 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylnaphthalen-2-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 70695214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).