8-methyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene

C13H17N3O — CID 162669783

IUPAC8-methyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene
SMILESCN1CCC2(CC1)N=C(c1ccccc1)NO2
InChIInChI=1S/C13H17N3O/c1-16-9-7-13(8-10-16)14-12(15-17-13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,15)
InChIKeyFFKRITSZWAVNQI-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.39
Rot. Bonds1

About 8-methyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene

8-methyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene (PubChem CID 162669783) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 8-methyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name8-methyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene
PubChem CID162669783
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name8-methyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene
SMILESCN1CCC2(CC1)N=C(c1ccccc1)NO2
InChIInChI=1S/C13H17N3O/c1-16-9-7-13(8-10-16)14-12(15-17-13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,15)
InChIKeyFFKRITSZWAVNQI-UHFFFAOYSA-N
XLogP1.39
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene?
The IUPAC name of 8-methyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene (CID 162669783) is 8-methyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene.
What is the SMILES notation for 8-methyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene?
The canonical SMILES for 8-methyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene is CN1CCC2(CC1)N=C(c1ccccc1)NO2.
What is the InChIKey of 8-methyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene?
The InChIKey is FFKRITSZWAVNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16-9-7-13(8-10-16)14-12(15-17-13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,15).
What are the key properties of 8-methyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene?
8-methyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene has a molecular weight of 231.30 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene is sourced from PubChem (CID 162669783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).