3-phenyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C16H22N2O — CID 58873306

IUPAC3-phenyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCC(C)N1CCC2(CC1)CC(c1ccccc1)=NO2
InChIInChI=1S/C16H22N2O/c1-13(2)18-10-8-16(9-11-18)12-15(17-19-16)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
InChIKeyUPYAAPAKBOWZTD-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.05
Rot. Bonds2

About 3-phenyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

3-phenyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 58873306) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-phenyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-phenyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID58873306
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name3-phenyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCC(C)N1CCC2(CC1)CC(c1ccccc1)=NO2
InChIInChI=1S/C16H22N2O/c1-13(2)18-10-8-16(9-11-18)12-15(17-19-16)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
InChIKeyUPYAAPAKBOWZTD-UHFFFAOYSA-N
XLogP3.05
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 3-phenyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 58873306) is 3-phenyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-phenyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-phenyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is CC(C)N1CCC2(CC1)CC(c1ccccc1)=NO2.
What is the InChIKey of 3-phenyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is UPYAAPAKBOWZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13(2)18-10-8-16(9-11-18)12-15(17-19-16)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3.
What are the key properties of 3-phenyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
3-phenyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 258.37 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 58873306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).