8-tert-butyl-2-(4-chlorophenyl)-3-oxa-1,8-diazaspiro[4.5]dec-1-ene

C17H23ClN2O — CID 3304887

IUPAC8-tert-butyl-2-(4-chlorophenyl)-3-oxa-1,8-diazaspiro[4.5]dec-1-ene
SMILESCC(C)(C)N1CCC2(CC1)COC(c1ccc(Cl)cc1)=N2
InChIInChI=1S/C17H23ClN2O/c1-16(2,3)20-10-8-17(9-11-20)12-21-15(19-17)13-4-6-14(18)7-5-13/h4-7H,8-12H2,1-3H3
InChIKeyLAECTBXKPJAFRD-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.75
Rot. Bonds1

About 8-tert-butyl-2-(4-chlorophenyl)-3-oxa-1,8-diazaspiro[4.5]dec-1-ene

8-tert-butyl-2-(4-chlorophenyl)-3-oxa-1,8-diazaspiro[4.5]dec-1-ene (PubChem CID 3304887) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 8-tert-butyl-2-(4-chlorophenyl)-3-oxa-1,8-diazaspiro[4.5]dec-1-ene.

Molecular Properties

Compound Name8-tert-butyl-2-(4-chlorophenyl)-3-oxa-1,8-diazaspiro[4.5]dec-1-ene
PubChem CID3304887
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name8-tert-butyl-2-(4-chlorophenyl)-3-oxa-1,8-diazaspiro[4.5]dec-1-ene
SMILESCC(C)(C)N1CCC2(CC1)COC(c1ccc(Cl)cc1)=N2
InChIInChI=1S/C17H23ClN2O/c1-16(2,3)20-10-8-17(9-11-20)12-21-15(19-17)13-4-6-14(18)7-5-13/h4-7H,8-12H2,1-3H3
InChIKeyLAECTBXKPJAFRD-UHFFFAOYSA-N
XLogP3.75
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-2-(4-chlorophenyl)-3-oxa-1,8-diazaspiro[4.5]dec-1-ene?
The IUPAC name of 8-tert-butyl-2-(4-chlorophenyl)-3-oxa-1,8-diazaspiro[4.5]dec-1-ene (CID 3304887) is 8-tert-butyl-2-(4-chlorophenyl)-3-oxa-1,8-diazaspiro[4.5]dec-1-ene.
What is the SMILES notation for 8-tert-butyl-2-(4-chlorophenyl)-3-oxa-1,8-diazaspiro[4.5]dec-1-ene?
The canonical SMILES for 8-tert-butyl-2-(4-chlorophenyl)-3-oxa-1,8-diazaspiro[4.5]dec-1-ene is CC(C)(C)N1CCC2(CC1)COC(c1ccc(Cl)cc1)=N2.
What is the InChIKey of 8-tert-butyl-2-(4-chlorophenyl)-3-oxa-1,8-diazaspiro[4.5]dec-1-ene?
The InChIKey is LAECTBXKPJAFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-16(2,3)20-10-8-17(9-11-20)12-21-15(19-17)13-4-6-14(18)7-5-13/h4-7H,8-12H2,1-3H3.
What are the key properties of 8-tert-butyl-2-(4-chlorophenyl)-3-oxa-1,8-diazaspiro[4.5]dec-1-ene?
8-tert-butyl-2-(4-chlorophenyl)-3-oxa-1,8-diazaspiro[4.5]dec-1-ene has a molecular weight of 306.84 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-2-(4-chlorophenyl)-3-oxa-1,8-diazaspiro[4.5]dec-1-ene is sourced from PubChem (CID 3304887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).