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

C13H12BrNO2 — CID 735654

IUPAC(1-bromonaphthalen-2-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc2ccccc2c1Br
InChIInChI=1S/C13H12BrNO2/c1-15(2)13(16)17-11-8-7-9-5-3-4-6-10(9)12(11)14/h3-8H,1-2H3
InChIKeyLFIQVKLNAVCFNU-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.66
Rot. Bonds1

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

(1-bromonaphthalen-2-yl) N,N-dimethylcarbamate (PubChem CID 735654) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is (1-bromonaphthalen-2-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(1-bromonaphthalen-2-yl) N,N-dimethylcarbamate
PubChem CID735654
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name(1-bromonaphthalen-2-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc2ccccc2c1Br
InChIInChI=1S/C13H12BrNO2/c1-15(2)13(16)17-11-8-7-9-5-3-4-6-10(9)12(11)14/h3-8H,1-2H3
InChIKeyLFIQVKLNAVCFNU-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-bromonaphthalen-2-yl) N,N-dimethylcarbamate?
The IUPAC name of (1-bromonaphthalen-2-yl) N,N-dimethylcarbamate (CID 735654) is (1-bromonaphthalen-2-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (1-bromonaphthalen-2-yl) N,N-dimethylcarbamate?
The canonical SMILES for (1-bromonaphthalen-2-yl) N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccc2ccccc2c1Br.
What is the InChIKey of (1-bromonaphthalen-2-yl) N,N-dimethylcarbamate?
The InChIKey is LFIQVKLNAVCFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-15(2)13(16)17-11-8-7-9-5-3-4-6-10(9)12(11)14/h3-8H,1-2H3.
What are the key properties of (1-bromonaphthalen-2-yl) N,N-dimethylcarbamate?
(1-bromonaphthalen-2-yl) N,N-dimethylcarbamate has a molecular weight of 294.15 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromonaphthalen-2-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 735654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).