3,6-diphenyl-1,8-dioxa-2,6-diazaspiro[4.4]non-2-en-7-one

C17H14N2O3 — CID 102474039

IUPAC3,6-diphenyl-1,8-dioxa-2,6-diazaspiro[4.4]non-2-en-7-one
SMILESO=C1OCC2(CC(c3ccccc3)=NO2)N1c1ccccc1
InChIInChI=1S/C17H14N2O3/c20-16-19(14-9-5-2-6-10-14)17(12-21-16)11-15(18-22-17)13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyMCMPZXIOKOIQLC-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.16
Rot. Bonds2

About 3,6-diphenyl-1,8-dioxa-2,6-diazaspiro[4.4]non-2-en-7-one

3,6-diphenyl-1,8-dioxa-2,6-diazaspiro[4.4]non-2-en-7-one (PubChem CID 102474039) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3,6-diphenyl-1,8-dioxa-2,6-diazaspiro[4.4]non-2-en-7-one.

Molecular Properties

Compound Name3,6-diphenyl-1,8-dioxa-2,6-diazaspiro[4.4]non-2-en-7-one
PubChem CID102474039
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name3,6-diphenyl-1,8-dioxa-2,6-diazaspiro[4.4]non-2-en-7-one
SMILESO=C1OCC2(CC(c3ccccc3)=NO2)N1c1ccccc1
InChIInChI=1S/C17H14N2O3/c20-16-19(14-9-5-2-6-10-14)17(12-21-16)11-15(18-22-17)13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyMCMPZXIOKOIQLC-UHFFFAOYSA-N
XLogP3.16
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-1,8-dioxa-2,6-diazaspiro[4.4]non-2-en-7-one?
The IUPAC name of 3,6-diphenyl-1,8-dioxa-2,6-diazaspiro[4.4]non-2-en-7-one (CID 102474039) is 3,6-diphenyl-1,8-dioxa-2,6-diazaspiro[4.4]non-2-en-7-one.
What is the SMILES notation for 3,6-diphenyl-1,8-dioxa-2,6-diazaspiro[4.4]non-2-en-7-one?
The canonical SMILES for 3,6-diphenyl-1,8-dioxa-2,6-diazaspiro[4.4]non-2-en-7-one is O=C1OCC2(CC(c3ccccc3)=NO2)N1c1ccccc1.
What is the InChIKey of 3,6-diphenyl-1,8-dioxa-2,6-diazaspiro[4.4]non-2-en-7-one?
The InChIKey is MCMPZXIOKOIQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-16-19(14-9-5-2-6-10-14)17(12-21-16)11-15(18-22-17)13-7-3-1-4-8-13/h1-10H,11-12H2.
What are the key properties of 3,6-diphenyl-1,8-dioxa-2,6-diazaspiro[4.4]non-2-en-7-one?
3,6-diphenyl-1,8-dioxa-2,6-diazaspiro[4.4]non-2-en-7-one has a molecular weight of 294.31 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-1,8-dioxa-2,6-diazaspiro[4.4]non-2-en-7-one is sourced from PubChem (CID 102474039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).