5,6,7,8-tetrahydronaphthalen-2-yl N-tert-butylcarbamate

C15H21NO2 — CID 11311209

IUPAC5,6,7,8-tetrahydronaphthalen-2-yl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H21NO2/c1-15(2,3)16-14(17)18-13-9-8-11-6-4-5-7-12(11)10-13/h8-10H,4-7H2,1-3H3,(H,16,17)
InChIKeyXGAINMIJINFJQI-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.45
Rot. Bonds1

About 5,6,7,8-tetrahydronaphthalen-2-yl N-tert-butylcarbamate

5,6,7,8-tetrahydronaphthalen-2-yl N-tert-butylcarbamate (PubChem CID 11311209) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 5,6,7,8-tetrahydronaphthalen-2-yl N-tert-butylcarbamate.

Molecular Properties

Compound Name5,6,7,8-tetrahydronaphthalen-2-yl N-tert-butylcarbamate
PubChem CID11311209
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name5,6,7,8-tetrahydronaphthalen-2-yl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H21NO2/c1-15(2,3)16-14(17)18-13-9-8-11-6-4-5-7-12(11)10-13/h8-10H,4-7H2,1-3H3,(H,16,17)
InChIKeyXGAINMIJINFJQI-UHFFFAOYSA-N
XLogP3.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate
CID 127549123
1-tert-butyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974906
1-O-methyl 4-O-(5,6,7,8-tetrahydronaphthalen-2-yl) butanedioate
CID 94274501
(4-hydroxyphenyl) N-tert-butylcarbamate
CID 19747177
3-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid
CID 82086851
5,6,7,8-tetrahydronaphthalen-2-yl 2-methoxyacetate
CID 110493686
(3-amino-4-methylphenyl) N-tert-butylcarbamate
CID 68878688
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoate
CID 82129231
2,2-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101539
5,6,7,8-tetrahydronaphthalen-2-yl 3-methylbenzoate
CID 110493634
(3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl) N-tert-butylcarbamate
CID 15751387
(3,5-dichlorophenyl) N-tert-butylcarbamate
CID 174575887

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydronaphthalen-2-yl N-tert-butylcarbamate?
The IUPAC name of 5,6,7,8-tetrahydronaphthalen-2-yl N-tert-butylcarbamate (CID 11311209) is 5,6,7,8-tetrahydronaphthalen-2-yl N-tert-butylcarbamate.
What is the SMILES notation for 5,6,7,8-tetrahydronaphthalen-2-yl N-tert-butylcarbamate?
The canonical SMILES for 5,6,7,8-tetrahydronaphthalen-2-yl N-tert-butylcarbamate is CC(C)(C)NC(=O)Oc1ccc2c(c1)CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydronaphthalen-2-yl N-tert-butylcarbamate?
The InChIKey is XGAINMIJINFJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,3)16-14(17)18-13-9-8-11-6-4-5-7-12(11)10-13/h8-10H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 5,6,7,8-tetrahydronaphthalen-2-yl N-tert-butylcarbamate?
5,6,7,8-tetrahydronaphthalen-2-yl N-tert-butylcarbamate has a molecular weight of 247.34 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydronaphthalen-2-yl N-tert-butylcarbamate is sourced from PubChem (CID 11311209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).