tert-butyl N-spiro[2.5]octan-2-ylcarbamate

C13H23NO2 — CID 86276839

IUPACtert-butyl N-spiro[2.5]octan-2-ylcarbamate
SMILESCC(C)(C)OC(=O)NC1CC12CCCCC2
InChIInChI=1S/C13H23NO2/c1-12(2,3)16-11(15)14-10-9-13(10)7-5-4-6-8-13/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeySITYNPAZZZVVJM-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.23
Rot. Bonds1

About tert-butyl N-spiro[2.5]octan-2-ylcarbamate

tert-butyl N-spiro[2.5]octan-2-ylcarbamate (PubChem CID 86276839) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is tert-butyl N-spiro[2.5]octan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-spiro[2.5]octan-2-ylcarbamate
PubChem CID86276839
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nametert-butyl N-spiro[2.5]octan-2-ylcarbamate
SMILESCC(C)(C)OC(=O)NC1CC12CCCCC2
InChIInChI=1S/C13H23NO2/c1-12(2,3)16-11(15)14-10-9-13(10)7-5-4-6-8-13/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeySITYNPAZZZVVJM-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate
CID 52908307
tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866
tert-butyl N-(2,2-difluorocyclohexyl)carbamate
CID 70317429
tert-butyl N-(2,2-difluorocyclopentyl)carbamate
CID 66792233
tert-butyl N-(8-azaspiro[4.5]decan-10-yl)carbamate
CID 83680565
tert-butyl N-(9-hydroxyspiro[3.5]nonan-2-yl)carbamate
CID 170896883
tert-butyl N-(8-azaspiro[4.5]decan-4-yl)carbamate
CID 127264221
tert-butyl N-spiro[3.3]heptan-2-ylcarbamate
CID 129317691
tert-butyl N-[(4R)-2-oxo-1-oxaspiro[4.5]decan-4-yl]carbamate
CID 124676210
tert-butyl N-(6-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride
CID 138040815
tert-butyl N-[(2S)-6-phenacyl-6-azaspiro[2.5]octan-2-yl]carbamate
CID 140937019

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-spiro[2.5]octan-2-ylcarbamate?
The IUPAC name of tert-butyl N-spiro[2.5]octan-2-ylcarbamate (CID 86276839) is tert-butyl N-spiro[2.5]octan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-spiro[2.5]octan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-spiro[2.5]octan-2-ylcarbamate is CC(C)(C)OC(=O)NC1CC12CCCCC2.
What is the InChIKey of tert-butyl N-spiro[2.5]octan-2-ylcarbamate?
The InChIKey is SITYNPAZZZVVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-12(2,3)16-11(15)14-10-9-13(10)7-5-4-6-8-13/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-spiro[2.5]octan-2-ylcarbamate?
tert-butyl N-spiro[2.5]octan-2-ylcarbamate has a molecular weight of 225.33 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-spiro[2.5]octan-2-ylcarbamate is sourced from PubChem (CID 86276839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).