tert-butyl N-(2-oxospiro[3.5]nonan-7-yl)carbamate

C14H23NO3 — CID 130068094

IUPACtert-butyl N-(2-oxospiro[3.5]nonan-7-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCC2(CC1)CC(=O)C2
InChIInChI=1S/C14H23NO3/c1-13(2,3)18-12(17)15-10-4-6-14(7-5-10)8-11(16)9-14/h10H,4-9H2,1-3H3,(H,15,17)
InChIKeySPZQOGMHBFODOY-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.80
Rot. Bonds1

About tert-butyl N-(2-oxospiro[3.5]nonan-7-yl)carbamate

tert-butyl N-(2-oxospiro[3.5]nonan-7-yl)carbamate (PubChem CID 130068094) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is tert-butyl N-(2-oxospiro[3.5]nonan-7-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-oxospiro[3.5]nonan-7-yl)carbamate
PubChem CID130068094
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nametert-butyl N-(2-oxospiro[3.5]nonan-7-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCC2(CC1)CC(=O)C2
InChIInChI=1S/C14H23NO3/c1-13(2,3)18-12(17)15-10-4-6-14(7-5-10)8-11(16)9-14/h10H,4-9H2,1-3H3,(H,15,17)
InChIKeySPZQOGMHBFODOY-UHFFFAOYSA-N
XLogP2.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate
CID 39872257
tert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride
CID 155895653
tert-butyl N-(3,5-dioxocyclohexyl)carbamate
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tert-butyl N-[4-hydroxy-4-(iodomethyl)cyclohexyl]carbamate
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tert-butyl N-(3,3-dimethyl-5-oxocyclohexyl)carbamate
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tert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate
CID 174975403
tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate
CID 58484972
2-[1-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetic acid
CID 86722962
tert-butyl N-(4-hydroxy-4-phenylcyclohexyl)carbamate
CID 142554256
tert-butyl N-(4-amino-4-prop-2-enylcyclohexyl)carbamate
CID 172506424
tert-butyl N-spiro[3.3]heptan-2-ylcarbamate
CID 129317691
tert-butyl N-[4-[(3,3-dimethylcyclopentyl)amino]cyclohexyl]carbamate
CID 103949188

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-oxospiro[3.5]nonan-7-yl)carbamate?
The IUPAC name of tert-butyl N-(2-oxospiro[3.5]nonan-7-yl)carbamate (CID 130068094) is tert-butyl N-(2-oxospiro[3.5]nonan-7-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-oxospiro[3.5]nonan-7-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-oxospiro[3.5]nonan-7-yl)carbamate is CC(C)(C)OC(=O)NC1CCC2(CC1)CC(=O)C2.
What is the InChIKey of tert-butyl N-(2-oxospiro[3.5]nonan-7-yl)carbamate?
The InChIKey is SPZQOGMHBFODOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-13(2,3)18-12(17)15-10-4-6-14(7-5-10)8-11(16)9-14/h10H,4-9H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-(2-oxospiro[3.5]nonan-7-yl)carbamate?
tert-butyl N-(2-oxospiro[3.5]nonan-7-yl)carbamate has a molecular weight of 253.34 g/mol, XLogP of 2.80, 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[3.5]nonan-7-yl)carbamate is sourced from PubChem (CID 130068094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).