3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C15H16N2O — CID 57493808

IUPAC3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESC(#Cc1ccccc1)C1=NOC2(CCNCC2)C1
InChIInChI=1S/C15H16N2O/c1-2-4-13(5-3-1)6-7-14-12-15(18-17-14)8-10-16-11-9-15/h1-5,16H,8-12H2
InChIKeyOAFMUTZKNQHDLX-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.94
Rot. Bonds

About 3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 57493808) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID57493808
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESC(#Cc1ccccc1)C1=NOC2(CCNCC2)C1
InChIInChI=1S/C15H16N2O/c1-2-4-13(5-3-1)6-7-14-12-15(18-17-14)8-10-16-11-9-15/h1-5,16H,8-12H2
InChIKeyOAFMUTZKNQHDLX-UHFFFAOYSA-N
XLogP1.94
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 57493808) is 3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is C(#Cc1ccccc1)C1=NOC2(CCNCC2)C1.
What is the InChIKey of 3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is OAFMUTZKNQHDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-2-4-13(5-3-1)6-7-14-12-15(18-17-14)8-10-16-11-9-15/h1-5,16H,8-12H2.
What are the key properties of 3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 240.31 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 57493808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).