tert-butyl 2-oxo-9-azaspiro[4.6]undec-3-ene-9-carboxylate

C15H23NO3 — CID 176830115

IUPACtert-butyl 2-oxo-9-azaspiro[4.6]undec-3-ene-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(C=CC(=O)C2)CC1
InChIInChI=1S/C15H23NO3/c1-14(2,3)19-13(18)16-9-4-6-15(8-10-16)7-5-12(17)11-15/h5,7H,4,6,8-11H2,1-3H3
InChIKeyPYBIQQYRLPWQBP-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.92
Rot. Bonds

About tert-butyl 2-oxo-9-azaspiro[4.6]undec-3-ene-9-carboxylate

tert-butyl 2-oxo-9-azaspiro[4.6]undec-3-ene-9-carboxylate (PubChem CID 176830115) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl 2-oxo-9-azaspiro[4.6]undec-3-ene-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-oxo-9-azaspiro[4.6]undec-3-ene-9-carboxylate
PubChem CID176830115
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl 2-oxo-9-azaspiro[4.6]undec-3-ene-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(C=CC(=O)C2)CC1
InChIInChI=1S/C15H23NO3/c1-14(2,3)19-13(18)16-9-4-6-15(8-10-16)7-5-12(17)11-15/h5,7H,4,6,8-11H2,1-3H3
InChIKeyPYBIQQYRLPWQBP-UHFFFAOYSA-N
XLogP2.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (5S)-7-oxo-1-azaspiro[4.4]non-8-ene-1-carboxylate
CID 10561852
tert-butyl azetidine-1-carboxylate iodide
CID 86693715
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl (5Z)-2,3,4,7,8,9-hexahydroazonine-1-carboxylate
CID 15418755
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate
CID 124518584
tert-butyl 4-methyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate
CID 176829524
tert-butyl 10-cyano-9-oxo-3-azaspiro[5.5]undec-10-ene-3-carboxylate
CID 162442039
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 22975821
4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-4-carboxylic acid
CID 44607608

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-oxo-9-azaspiro[4.6]undec-3-ene-9-carboxylate?
The IUPAC name of tert-butyl 2-oxo-9-azaspiro[4.6]undec-3-ene-9-carboxylate (CID 176830115) is tert-butyl 2-oxo-9-azaspiro[4.6]undec-3-ene-9-carboxylate.
What is the SMILES notation for tert-butyl 2-oxo-9-azaspiro[4.6]undec-3-ene-9-carboxylate?
The canonical SMILES for tert-butyl 2-oxo-9-azaspiro[4.6]undec-3-ene-9-carboxylate is CC(C)(C)OC(=O)N1CCCC2(C=CC(=O)C2)CC1.
What is the InChIKey of tert-butyl 2-oxo-9-azaspiro[4.6]undec-3-ene-9-carboxylate?
The InChIKey is PYBIQQYRLPWQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-14(2,3)19-13(18)16-9-4-6-15(8-10-16)7-5-12(17)11-15/h5,7H,4,6,8-11H2,1-3H3.
What are the key properties of tert-butyl 2-oxo-9-azaspiro[4.6]undec-3-ene-9-carboxylate?
tert-butyl 2-oxo-9-azaspiro[4.6]undec-3-ene-9-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-oxo-9-azaspiro[4.6]undec-3-ene-9-carboxylate is sourced from PubChem (CID 176830115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).