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

C13H16N2O — CID 91310425

IUPAC3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
SMILESC1=C(c2ccccc2)NOC12CCNCC2
InChIInChI=1S/C13H16N2O/c1-2-4-11(5-3-1)12-10-13(16-15-12)6-8-14-9-7-13/h1-5,10,14-15H,6-9H2
InChIKeyWXLLPQHTDQNPEG-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.68
Rot. Bonds1

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

3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene (PubChem CID 91310425) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
PubChem CID91310425
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
SMILESC1=C(c2ccccc2)NOC12CCNCC2
InChIInChI=1S/C13H16N2O/c1-2-4-11(5-3-1)12-10-13(16-15-12)6-8-14-9-7-13/h1-5,10,14-15H,6-9H2
InChIKeyWXLLPQHTDQNPEG-UHFFFAOYSA-N
XLogP1.68
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-Benzylpiperidin-1-ium-1-yl)oxypropan-1-amine
CID 54309022
4-(1-Oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)benzonitrile
CID 57162482
4-[(3-Phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]morpholine
CID 57164746
3-(4-Methylphenyl)-5-(piperidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole
CID 57178620
O-[(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)] N-cyclooctylcarbamothioate
CID 90728388
3-Phenyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene
CID 90757823
O-[(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)] N-cyclohexylcarbamothioate
CID 90768750
3-Phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene
CID 90811093
N-cyclooctyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carbothioamide
CID 90811680
3-(4-Chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 90822069
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-cyclohexylcarbamate
CID 90829383
N-benzyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90852364

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
The IUPAC name of 3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene (CID 91310425) is 3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene.
What is the SMILES notation for 3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
The canonical SMILES for 3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene is C1=C(c2ccccc2)NOC12CCNCC2.
What is the InChIKey of 3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
The InChIKey is WXLLPQHTDQNPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-4-11(5-3-1)12-10-13(16-15-12)6-8-14-9-7-13/h1-5,10,14-15H,6-9H2.
What are the key properties of 3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene has a molecular weight of 216.28 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene is sourced from PubChem (CID 91310425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).