8-benzyl-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one

C15H17NO3 — CID 19814218

IUPAC8-benzyl-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESC=C1OC(=O)OC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C15H17NO3/c1-12-15(19-14(17)18-12)7-9-16(10-8-15)11-13-5-3-2-4-6-13/h2-6H,1,7-11H2
InChIKeyJIQHHWDRYBKJQM-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.70
Rot. Bonds2

About 8-benzyl-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one

8-benzyl-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one (PubChem CID 19814218) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 8-benzyl-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-benzyl-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one
PubChem CID19814218
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name8-benzyl-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESC=C1OC(=O)OC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C15H17NO3/c1-12-15(19-14(17)18-12)7-9-16(10-8-15)11-13-5-3-2-4-6-13/h2-6H,1,7-11H2
InChIKeyJIQHHWDRYBKJQM-UHFFFAOYSA-N
XLogP2.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The IUPAC name of 8-benzyl-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one (CID 19814218) is 8-benzyl-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-benzyl-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for 8-benzyl-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one is C=C1OC(=O)OC12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 8-benzyl-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The InChIKey is JIQHHWDRYBKJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-12-15(19-14(17)18-12)7-9-16(10-8-15)11-13-5-3-2-4-6-13/h2-6H,1,7-11H2.
What are the key properties of 8-benzyl-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
8-benzyl-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one has a molecular weight of 259.30 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 19814218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).