tert-butyl 3-cyclopropyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate

C15H23N3O2 — CID 134950579

IUPACtert-butyl 3-cyclopropyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C=C(C3CC3)N=N2)CC1
InChIInChI=1S/C15H23N3O2/c1-14(2,3)20-13(19)18-8-6-15(7-9-18)10-12(16-17-15)11-4-5-11/h10-11H,4-9H2,1-3H3
InChIKeyOQYVPMKNDLESDH-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.52
Rot. Bonds1

About tert-butyl 3-cyclopropyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate

tert-butyl 3-cyclopropyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate (PubChem CID 134950579) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is tert-butyl 3-cyclopropyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-cyclopropyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
PubChem CID134950579
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nametert-butyl 3-cyclopropyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C=C(C3CC3)N=N2)CC1
InChIInChI=1S/C15H23N3O2/c1-14(2,3)20-13(19)18-8-6-15(7-9-18)10-12(16-17-15)11-4-5-11/h10-11H,4-9H2,1-3H3
InChIKeyOQYVPMKNDLESDH-UHFFFAOYSA-N
XLogP3.52
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-trimethylsilyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
CID 164762717
tert-butyl 3-(4-methoxyphenyl)-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
CID 134950588
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate
CID 58482290
tert-butyl 2-cyclopropylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
CID 167048064
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 4-hydroxy-4-[(1R)-2-oxocyclopentyl]piperidine-1-carboxylate
CID 124747623
tert-butyl 4-hydroxy-4-[(1S)-2-oxocyclopentyl]piperidine-1-carboxylate
CID 124747622
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl 9-bromo-3-azaspiro[5.5]undecane-3-carboxylate
CID 156503670
tert-butyl 2-(4-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 163836171
tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 69455005

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-cyclopropyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate?
The IUPAC name of tert-butyl 3-cyclopropyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate (CID 134950579) is tert-butyl 3-cyclopropyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate.
What is the SMILES notation for tert-butyl 3-cyclopropyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate?
The canonical SMILES for tert-butyl 3-cyclopropyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(C=C(C3CC3)N=N2)CC1.
What is the InChIKey of tert-butyl 3-cyclopropyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate?
The InChIKey is OQYVPMKNDLESDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-14(2,3)20-13(19)18-8-6-15(7-9-18)10-12(16-17-15)11-4-5-11/h10-11H,4-9H2,1-3H3.
What are the key properties of tert-butyl 3-cyclopropyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate?
tert-butyl 3-cyclopropyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-cyclopropyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate is sourced from PubChem (CID 134950579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).