2-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl carbamate

C13H16BrNO2 — CID 175151033

IUPAC2-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl carbamate
SMILESNC(=O)OCCC1CCCc2c(Br)cccc21
InChIInChI=1S/C13H16BrNO2/c14-12-6-2-4-10-9(3-1-5-11(10)12)7-8-17-13(15)16/h2,4,6,9H,1,3,5,7-8H2,(H2,15,16)
InChIKeySBKSIPKUVZZRSY-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.35
Rot. Bonds3

About 2-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl carbamate

2-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl carbamate (PubChem CID 175151033) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 2-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl carbamate.

Molecular Properties

Compound Name2-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl carbamate
PubChem CID175151033
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name2-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl carbamate
SMILESNC(=O)OCCC1CCCc2c(Br)cccc21
InChIInChI=1S/C13H16BrNO2/c14-12-6-2-4-10-9(3-1-5-11(10)12)7-8-17-13(15)16/h2,4,6,9H,1,3,5,7-8H2,(H2,15,16)
InChIKeySBKSIPKUVZZRSY-UHFFFAOYSA-N
XLogP3.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl carbamate?
The IUPAC name of 2-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl carbamate (CID 175151033) is 2-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl carbamate.
What is the SMILES notation for 2-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl carbamate?
The canonical SMILES for 2-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl carbamate is NC(=O)OCCC1CCCc2c(Br)cccc21.
What is the InChIKey of 2-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl carbamate?
The InChIKey is SBKSIPKUVZZRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c14-12-6-2-4-10-9(3-1-5-11(10)12)7-8-17-13(15)16/h2,4,6,9H,1,3,5,7-8H2,(H2,15,16).
What are the key properties of 2-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl carbamate?
2-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl carbamate has a molecular weight of 298.18 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl carbamate is sourced from PubChem (CID 175151033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).