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

C15H16N2O — CID 123962123

IUPAC3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
SMILESC(#Cc1ccccc1)C1=CC2(CCNCC2)ON1
InChIInChI=1S/C15H16N2O/c1-2-4-13(5-3-1)6-7-14-12-15(18-17-14)8-10-16-11-9-15/h1-5,12,16-17H,8-11H2
InChIKeyWKVJQFMXNQZMNR-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.58
Rot. Bonds

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

3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene (PubChem CID 123962123) 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-3-ene.

Molecular Properties

Compound Name3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
PubChem CID123962123
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
SMILESC(#Cc1ccccc1)C1=CC2(CCNCC2)ON1
InChIInChI=1S/C15H16N2O/c1-2-4-13(5-3-1)6-7-14-12-15(18-17-14)8-10-16-11-9-15/h1-5,12,16-17H,8-11H2
InChIKeyWKVJQFMXNQZMNR-UHFFFAOYSA-N
XLogP1.58
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-Fluorophenyl)ethynyl]-1-oxa-2,7-diazaspiro[4.4]non-3-ene
CID 123496392
4-(1-Oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)benzonitrile
CID 57162482
3-(Phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 57493808
4-(3-Phenylprop-2-ynyl)piperidin-4-ol
CID 68725377
3-Phenyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene
CID 90757823
3-Phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene
CID 91077605
3-Phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91310425
3-Benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91503266
3-(2-Phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91595851
6-Methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91614864
7-(2-Phenylethynyl)-5-oxa-2,6-diazaspiro[3.4]oct-7-ene
CID 123190160
Tert-butyl 3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 123366058

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
The IUPAC name of 3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene (CID 123962123) is 3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene.
What is the SMILES notation for 3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
The canonical SMILES for 3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene is C(#Cc1ccccc1)C1=CC2(CCNCC2)ON1.
What is the InChIKey of 3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
The InChIKey is WKVJQFMXNQZMNR-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/h1-5,12,16-17H,8-11H2.
What are the key properties of 3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene?
3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene has a molecular weight of 240.31 g/mol, XLogP of 1.58, 0 rotatable bonds, 2 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-3-ene is sourced from PubChem (CID 123962123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).