tert-butyl (5S)-7-oxo-1-azaspiro[4.4]non-8-ene-1-carboxylate

C13H19NO3 — CID 10561852

IUPACtert-butyl (5S)-7-oxo-1-azaspiro[4.4]non-8-ene-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@]12C=CC(=O)C2
InChIInChI=1S/C13H19NO3/c1-12(2,3)17-11(16)14-8-4-6-13(14)7-5-10(15)9-13/h5,7H,4,6,8-9H2,1-3H3/t13-/m1/s1
InChIKeySQXMXQGMSOMLRY-CYBMUJFWSA-N
MW237.30 g/mol
LogP2.29
Rot. Bonds

About tert-butyl (5S)-7-oxo-1-azaspiro[4.4]non-8-ene-1-carboxylate

tert-butyl (5S)-7-oxo-1-azaspiro[4.4]non-8-ene-1-carboxylate (PubChem CID 10561852) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl (5S)-7-oxo-1-azaspiro[4.4]non-8-ene-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S)-7-oxo-1-azaspiro[4.4]non-8-ene-1-carboxylate
PubChem CID10561852
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nametert-butyl (5S)-7-oxo-1-azaspiro[4.4]non-8-ene-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@]12C=CC(=O)C2
InChIInChI=1S/C13H19NO3/c1-12(2,3)17-11(16)14-8-4-6-13(14)7-5-10(15)9-13/h5,7H,4,6,8-9H2,1-3H3/t13-/m1/s1
InChIKeySQXMXQGMSOMLRY-CYBMUJFWSA-N
XLogP2.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl (5S)-7-oxo-1-azaspiro[4.4]non-8-ene-1-carboxylate 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 2-oxo-9-azaspiro[4.6]undec-3-ene-9-carboxylate
CID 176830115
tert-butyl 8-oxo-1-azaspiro[4.4]nonane-1-carboxylate
CID 135395018
tert-butyl (2R)-2-amino-2-methylpyrrolidine-1-carboxylate
CID 154191796
ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate
CID 68574402
tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate
CID 54758971
2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 22556536
2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid
CID 24805629
tert-butyl 10-methyl-11-oxo-1,10-diazaspiro[4.6]undec-7-ene-1-carboxylate
CID 139371603
(2R)-2-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 134421765
tert-butyl 1-oxa-8-azaspiro[3.4]octane-8-carboxylate
CID 71669234
tert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate
CID 139383963
tert-butyl 2,2-bis(prop-2-enyl)pyrrolidine-1-carboxylate
CID 25155771

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S)-7-oxo-1-azaspiro[4.4]non-8-ene-1-carboxylate?
The IUPAC name of tert-butyl (5S)-7-oxo-1-azaspiro[4.4]non-8-ene-1-carboxylate (CID 10561852) is tert-butyl (5S)-7-oxo-1-azaspiro[4.4]non-8-ene-1-carboxylate.
What is the SMILES notation for tert-butyl (5S)-7-oxo-1-azaspiro[4.4]non-8-ene-1-carboxylate?
The canonical SMILES for tert-butyl (5S)-7-oxo-1-azaspiro[4.4]non-8-ene-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@]12C=CC(=O)C2.
What is the InChIKey of tert-butyl (5S)-7-oxo-1-azaspiro[4.4]non-8-ene-1-carboxylate?
The InChIKey is SQXMXQGMSOMLRY-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19NO3/c1-12(2,3)17-11(16)14-8-4-6-13(14)7-5-10(15)9-13/h5,7H,4,6,8-9H2,1-3H3/t13-/m1/s1.
What are the key properties of tert-butyl (5S)-7-oxo-1-azaspiro[4.4]non-8-ene-1-carboxylate?
tert-butyl (5S)-7-oxo-1-azaspiro[4.4]non-8-ene-1-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S)-7-oxo-1-azaspiro[4.4]non-8-ene-1-carboxylate is sourced from PubChem (CID 10561852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).