(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamic acid

C11H12BrNO2 — CID 118139241

IUPAC(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamic acid
SMILESO=C(O)NC1CCCc2cc(Br)ccc21
InChIInChI=1S/C11H12BrNO2/c12-8-4-5-9-7(6-8)2-1-3-10(9)13-11(14)15/h4-6,10,13H,1-3H2,(H,14,15)
InChIKeyGBKHRLIDENAISQ-UHFFFAOYSA-N
MW270.13 g/mol
LogP3.09
Rot. Bonds1

About (6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamic acid

(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamic acid (PubChem CID 118139241) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is (6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamic acid.

Molecular Properties

Compound Name(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamic acid
PubChem CID118139241
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamic acid
SMILESO=C(O)NC1CCCc2cc(Br)ccc21
InChIInChI=1S/C11H12BrNO2/c12-8-4-5-9-7(6-8)2-1-3-10(9)13-11(14)15/h4-6,10,13H,1-3H2,(H,14,15)
InChIKeyGBKHRLIDENAISQ-UHFFFAOYSA-N
XLogP3.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-hydroxyoctanediamide
CID 155181426
6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83912581
4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673094
6-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene
CID 18469942
[6-[2-(hydroxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid
CID 69074757
N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-2-carboxamide
CID 136578972
4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710
(6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid
CID 18448605
(1R)-6-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
CID 71416765
(E)-3-(3-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 42904423
(E)-3-(3-bromophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 7919830
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-bromo-1H-pyrrole-2-carboxamide
CID 116649902

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamic acid?
The IUPAC name of (6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamic acid (CID 118139241) is (6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamic acid.
What is the SMILES notation for (6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamic acid?
The canonical SMILES for (6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamic acid is O=C(O)NC1CCCc2cc(Br)ccc21.
What is the InChIKey of (6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamic acid?
The InChIKey is GBKHRLIDENAISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c12-8-4-5-9-7(6-8)2-1-3-10(9)13-11(14)15/h4-6,10,13H,1-3H2,(H,14,15).
What are the key properties of (6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamic acid?
(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamic acid has a molecular weight of 270.13 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamic acid is sourced from PubChem (CID 118139241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).