7-phenyl-5-oxa-6-azadispiro[2.0.44.13]non-6-ene

C13H13NO — CID 15401500

IUPAC7-phenyl-5-oxa-6-azadispiro[2.0.44.13]non-6-ene
SMILESc1ccc(C2=NOC3(C2)CC32CC2)cc1
InChIInChI=1S/C13H13NO/c1-2-4-10(5-3-1)11-8-13(15-14-11)9-12(13)6-7-12/h1-5H,6-9H2
InChIKeyNFBQQUGUNZBKIT-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.73
Rot. Bonds1

About 7-phenyl-5-oxa-6-azadispiro[2.0.44.13]non-6-ene

7-phenyl-5-oxa-6-azadispiro[2.0.44.13]non-6-ene (PubChem CID 15401500) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 7-phenyl-5-oxa-6-azadispiro[2.0.44.13]non-6-ene.

Molecular Properties

Compound Name7-phenyl-5-oxa-6-azadispiro[2.0.44.13]non-6-ene
PubChem CID15401500
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name7-phenyl-5-oxa-6-azadispiro[2.0.44.13]non-6-ene
SMILESc1ccc(C2=NOC3(C2)CC32CC2)cc1
InChIInChI=1S/C13H13NO/c1-2-4-10(5-3-1)11-8-13(15-14-11)9-12(13)6-7-12/h1-5H,6-9H2
InChIKeyNFBQQUGUNZBKIT-UHFFFAOYSA-N
XLogP2.73
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-5-oxa-6-azadispiro[2.0.44.13]non-6-ene?
The IUPAC name of 7-phenyl-5-oxa-6-azadispiro[2.0.44.13]non-6-ene (CID 15401500) is 7-phenyl-5-oxa-6-azadispiro[2.0.44.13]non-6-ene.
What is the SMILES notation for 7-phenyl-5-oxa-6-azadispiro[2.0.44.13]non-6-ene?
The canonical SMILES for 7-phenyl-5-oxa-6-azadispiro[2.0.44.13]non-6-ene is c1ccc(C2=NOC3(C2)CC32CC2)cc1.
What is the InChIKey of 7-phenyl-5-oxa-6-azadispiro[2.0.44.13]non-6-ene?
The InChIKey is NFBQQUGUNZBKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-4-10(5-3-1)11-8-13(15-14-11)9-12(13)6-7-12/h1-5H,6-9H2.
What are the key properties of 7-phenyl-5-oxa-6-azadispiro[2.0.44.13]non-6-ene?
7-phenyl-5-oxa-6-azadispiro[2.0.44.13]non-6-ene has a molecular weight of 199.25 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-5-oxa-6-azadispiro[2.0.44.13]non-6-ene is sourced from PubChem (CID 15401500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).