tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate

C12H19NO3 — CID 39872257

IUPACtert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC2(CC(=O)C2)C1
InChIInChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-8-4-12(5-8)6-9(14)7-12/h8H,4-7H2,1-3H3,(H,13,15)
InChIKeyHQXCHIODIJRHAT-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.02
Rot. Bonds1

About tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate

tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate (PubChem CID 39872257) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate
PubChem CID39872257
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nametert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC2(CC(=O)C2)C1
InChIInChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-8-4-12(5-8)6-9(14)7-12/h8H,4-7H2,1-3H3,(H,13,15)
InChIKeyHQXCHIODIJRHAT-UHFFFAOYSA-N
XLogP2.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(2-oxospiro[3.5]nonan-7-yl)carbamate
CID 130068094
tert-butyl N-spiro[3.3]heptan-2-ylcarbamate
CID 129317691
tert-butyl N-(3,3-dimethyl-5-oxocyclohexyl)carbamate
CID 122163856
tert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate;hydrochloride
CID 146082168
tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride
CID 86767491
tert-butyl N-(3,5-dioxocyclohexyl)carbamate
CID 84691194
bis(tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate);oxalic acid
CID 91663877
tert-butyl N-(3,3-dimethoxycyclobutyl)carbamate
CID 142054635
tert-butyl N-(3-amino-3-methylcyclobutyl)carbamate
CID 71280569
tert-butyl N-(3,3-dicarbonofluoridoylcyclobutyl)carbamate
CID 155092613
6-aminospiro[3.3]heptan-2-ol;tert-butyl N-(2-hydroxyspiro[3.3]heptan-6-yl)carbamate;dihydrochloride
CID 157204517
tert-butyl N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate
CID 90701493

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate?
The IUPAC name of tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate (CID 39872257) is tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate is CC(C)(C)OC(=O)NC1CC2(CC(=O)C2)C1.
What is the InChIKey of tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate?
The InChIKey is HQXCHIODIJRHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-8-4-12(5-8)6-9(14)7-12/h8H,4-7H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate?
tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate has a molecular weight of 225.29 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate is sourced from PubChem (CID 39872257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).