3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene

C13H16N2O — CID 56934460

IUPAC3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
SMILESc1ccc(C2=NOC3(CCCNC3)C2)cc1
InChIInChI=1S/C13H16N2O/c1-2-5-11(6-3-1)12-9-13(16-15-12)7-4-8-14-10-13/h1-3,5-6,14H,4,7-10H2
InChIKeyNIXCXDZREWBDDN-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.93
Rot. Bonds1

About 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene

3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene (PubChem CID 56934460) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
PubChem CID56934460
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
SMILESc1ccc(C2=NOC3(CCCNC3)C2)cc1
InChIInChI=1S/C13H16N2O/c1-2-5-11(6-3-1)12-9-13(16-15-12)7-4-8-14-10-13/h1-3,5-6,14H,4,7-10H2
InChIKeyNIXCXDZREWBDDN-UHFFFAOYSA-N
XLogP1.93
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene (CID 56934460) is 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene is c1ccc(C2=NOC3(CCCNC3)C2)cc1.
What is the InChIKey of 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The InChIKey is NIXCXDZREWBDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-5-11(6-3-1)12-9-13(16-15-12)7-4-8-14-10-13/h1-3,5-6,14H,4,7-10H2.
What are the key properties of 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene has a molecular weight of 216.28 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 56934460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).