4-(dibenzylamino)-1-oxaspiro[4.5]dec-3-en-2-one

C23H25NO2 — CID 5304800

IUPAC4-(dibenzylamino)-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=C(N(Cc2ccccc2)Cc2ccccc2)C2(CCCCC2)O1
InChIInChI=1S/C23H25NO2/c25-22-16-21(23(26-22)14-8-3-9-15-23)24(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20/h1-2,4-7,10-13,16H,3,8-9,14-15,17-18H2
InChIKeyWFENHRMXDPHJHM-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.83
Rot. Bonds5

About 4-(dibenzylamino)-1-oxaspiro[4.5]dec-3-en-2-one

4-(dibenzylamino)-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 5304800) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-(dibenzylamino)-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-(dibenzylamino)-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID5304800
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name4-(dibenzylamino)-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=C(N(Cc2ccccc2)Cc2ccccc2)C2(CCCCC2)O1
InChIInChI=1S/C23H25NO2/c25-22-16-21(23(26-22)14-8-3-9-15-23)24(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20/h1-2,4-7,10-13,16H,3,8-9,14-15,17-18H2
InChIKeyWFENHRMXDPHJHM-UHFFFAOYSA-N
XLogP4.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dibenzylamino)-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-(dibenzylamino)-1-oxaspiro[4.5]dec-3-en-2-one (CID 5304800) is 4-(dibenzylamino)-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-(dibenzylamino)-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-(dibenzylamino)-1-oxaspiro[4.5]dec-3-en-2-one is O=C1C=C(N(Cc2ccccc2)Cc2ccccc2)C2(CCCCC2)O1.
What is the InChIKey of 4-(dibenzylamino)-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is WFENHRMXDPHJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c25-22-16-21(23(26-22)14-8-3-9-15-23)24(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20/h1-2,4-7,10-13,16H,3,8-9,14-15,17-18H2.
What are the key properties of 4-(dibenzylamino)-1-oxaspiro[4.5]dec-3-en-2-one?
4-(dibenzylamino)-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 347.46 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibenzylamino)-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 5304800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).