9-tert-butyl-4-oxo-3-azaspiro[5.5]undec-2-en-2-olate

C14H22NO2- — CID 3425217

IUPAC9-tert-butyl-4-oxo-3-azaspiro[5.5]undec-2-en-2-olate
SMILESCC(C)(C)C1CCC2(CC1)CC(=O)N=C([O-])C2
InChIInChI=1S/C14H23NO2/c1-13(2,3)10-4-6-14(7-5-10)8-11(16)15-12(17)9-14/h10H,4-9H2,1-3H3,(H,15,16,17)/p-1
InChIKeyOMZJCACXIHTCKN-UHFFFAOYSA-M
MW236.33 g/mol
LogP2.29
Rot. Bonds

About 9-tert-butyl-4-oxo-3-azaspiro[5.5]undec-2-en-2-olate

9-tert-butyl-4-oxo-3-azaspiro[5.5]undec-2-en-2-olate (PubChem CID 3425217) has the molecular formula C14H22NO2- and a molecular weight of 236.33 g/mol. Its IUPAC name is 9-tert-butyl-4-oxo-3-azaspiro[5.5]undec-2-en-2-olate.

Molecular Properties

Compound Name9-tert-butyl-4-oxo-3-azaspiro[5.5]undec-2-en-2-olate
PubChem CID3425217
Molecular FormulaC14H22NO2-
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name9-tert-butyl-4-oxo-3-azaspiro[5.5]undec-2-en-2-olate
SMILESCC(C)(C)C1CCC2(CC1)CC(=O)N=C([O-])C2
InChIInChI=1S/C14H23NO2/c1-13(2,3)10-4-6-14(7-5-10)8-11(16)15-12(17)9-14/h10H,4-9H2,1-3H3,(H,15,16,17)/p-1
InChIKeyOMZJCACXIHTCKN-UHFFFAOYSA-M
XLogP2.29
TPSA52.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-tert-butylspiro[3.5]nonane
CID 123908402
7-tert-butyl-1-azaspiro[3.5]nonan-2-one
CID 64663866
12-tert-butyldispiro[5.2.59.26]hexadecane
CID 140778143
4-amino-8-tert-butyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79961162
6-tert-butylspiro[2.4]heptane
CID 140640828
(4-tert-butylcyclohexylidene)methanone
CID 134893042
(2S)-6-tert-butyl-2-methyl-1-oxaspiro[2.5]octane
CID 138978099
(3aR,6aS)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane]
CID 140778076
4-tert-butyl-1,1-dichlorocyclohexane
CID 10867528
4-tert-butylcyclohexan-1-one
CID 7392
4-tert-butyl-1-cyclopropylcyclohexane-1-carbaldehyde
CID 130647229
4-amino-8-tert-butyl-1-(cyclopropylmethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79967360

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-4-oxo-3-azaspiro[5.5]undec-2-en-2-olate?
The IUPAC name of 9-tert-butyl-4-oxo-3-azaspiro[5.5]undec-2-en-2-olate (CID 3425217) is 9-tert-butyl-4-oxo-3-azaspiro[5.5]undec-2-en-2-olate.
What is the SMILES notation for 9-tert-butyl-4-oxo-3-azaspiro[5.5]undec-2-en-2-olate?
The canonical SMILES for 9-tert-butyl-4-oxo-3-azaspiro[5.5]undec-2-en-2-olate is CC(C)(C)C1CCC2(CC1)CC(=O)N=C([O-])C2.
What is the InChIKey of 9-tert-butyl-4-oxo-3-azaspiro[5.5]undec-2-en-2-olate?
The InChIKey is OMZJCACXIHTCKN-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H23NO2/c1-13(2,3)10-4-6-14(7-5-10)8-11(16)15-12(17)9-14/h10H,4-9H2,1-3H3,(H,15,16,17)/p-1.
What are the key properties of 9-tert-butyl-4-oxo-3-azaspiro[5.5]undec-2-en-2-olate?
9-tert-butyl-4-oxo-3-azaspiro[5.5]undec-2-en-2-olate has a molecular weight of 236.33 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-4-oxo-3-azaspiro[5.5]undec-2-en-2-olate is sourced from PubChem (CID 3425217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).