(1-bromo-6-cyanonaphthalen-2-yl) N,N-dimethylcarbamate

C14H11BrN2O2 — CID 70695218

IUPAC(1-bromo-6-cyanonaphthalen-2-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc2cc(C#N)ccc2c1Br
InChIInChI=1S/C14H11BrN2O2/c1-17(2)14(18)19-12-6-4-10-7-9(8-16)3-5-11(10)13(12)15/h3-7H,1-2H3
InChIKeyUAAKFDBQMPFPGU-UHFFFAOYSA-N
MW319.16 g/mol
LogP3.53
Rot. Bonds1

About (1-bromo-6-cyanonaphthalen-2-yl) N,N-dimethylcarbamate

(1-bromo-6-cyanonaphthalen-2-yl) N,N-dimethylcarbamate (PubChem CID 70695218) has the molecular formula C14H11BrN2O2 and a molecular weight of 319.16 g/mol. Its IUPAC name is (1-bromo-6-cyanonaphthalen-2-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(1-bromo-6-cyanonaphthalen-2-yl) N,N-dimethylcarbamate
PubChem CID70695218
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC Name(1-bromo-6-cyanonaphthalen-2-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc2cc(C#N)ccc2c1Br
InChIInChI=1S/C14H11BrN2O2/c1-17(2)14(18)19-12-6-4-10-7-9(8-16)3-5-11(10)13(12)15/h3-7H,1-2H3
InChIKeyUAAKFDBQMPFPGU-UHFFFAOYSA-N
XLogP3.53
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-bromo-6-cyanonaphthalen-2-yl) N,N-dimethylcarbamate?
The IUPAC name of (1-bromo-6-cyanonaphthalen-2-yl) N,N-dimethylcarbamate (CID 70695218) is (1-bromo-6-cyanonaphthalen-2-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (1-bromo-6-cyanonaphthalen-2-yl) N,N-dimethylcarbamate?
The canonical SMILES for (1-bromo-6-cyanonaphthalen-2-yl) N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccc2cc(C#N)ccc2c1Br.
What is the InChIKey of (1-bromo-6-cyanonaphthalen-2-yl) N,N-dimethylcarbamate?
The InChIKey is UAAKFDBQMPFPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c1-17(2)14(18)19-12-6-4-10-7-9(8-16)3-5-11(10)13(12)15/h3-7H,1-2H3.
What are the key properties of (1-bromo-6-cyanonaphthalen-2-yl) N,N-dimethylcarbamate?
(1-bromo-6-cyanonaphthalen-2-yl) N,N-dimethylcarbamate has a molecular weight of 319.16 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-6-cyanonaphthalen-2-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 70695218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).