8-benzyl-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C16H20N2O2 — CID 19814318

IUPAC8-benzyl-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(C)C(=O)OC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C16H20N2O2/c1-13-16(20-15(19)17(13)2)8-10-18(11-9-16)12-14-6-4-3-5-7-14/h3-7H,1,8-12H2,2H3
InChIKeyKNICDTHADOUIOK-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.62
Rot. Bonds2

About 8-benzyl-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-benzyl-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 19814318) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 8-benzyl-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-benzyl-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID19814318
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name8-benzyl-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(C)C(=O)OC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C16H20N2O2/c1-13-16(20-15(19)17(13)2)8-10-18(11-9-16)12-14-6-4-3-5-7-14/h3-7H,1,8-12H2,2H3
InChIKeyKNICDTHADOUIOK-UHFFFAOYSA-N
XLogP2.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-benzyl-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 19814318) is 8-benzyl-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-benzyl-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-benzyl-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=C1N(C)C(=O)OC12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 8-benzyl-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is KNICDTHADOUIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-13-16(20-15(19)17(13)2)8-10-18(11-9-16)12-14-6-4-3-5-7-14/h3-7H,1,8-12H2,2H3.
What are the key properties of 8-benzyl-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-benzyl-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 272.35 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 19814318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).