4-[benzyl(methyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one

C17H21NO2 — CID 5302913

IUPAC4-[benzyl(methyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCN(Cc1ccccc1)C1=CC(=O)OC12CCCCC2
InChIInChI=1S/C17H21NO2/c1-18(13-14-8-4-2-5-9-14)15-12-16(19)20-17(15)10-6-3-7-11-17/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3
InChIKeyJWMPXZYJMAOBMT-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.26
Rot. Bonds3

About 4-[benzyl(methyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one

4-[benzyl(methyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 5302913) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[benzyl(methyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-[benzyl(methyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID5302913
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-[benzyl(methyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCN(Cc1ccccc1)C1=CC(=O)OC12CCCCC2
InChIInChI=1S/C17H21NO2/c1-18(13-14-8-4-2-5-9-14)15-12-16(19)20-17(15)10-6-3-7-11-17/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3
InChIKeyJWMPXZYJMAOBMT-UHFFFAOYSA-N
XLogP3.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-[benzyl(methyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one (CID 5302913) is 4-[benzyl(methyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-[benzyl(methyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-[benzyl(methyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one is CN(Cc1ccccc1)C1=CC(=O)OC12CCCCC2.
What is the InChIKey of 4-[benzyl(methyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is JWMPXZYJMAOBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-18(13-14-8-4-2-5-9-14)15-12-16(19)20-17(15)10-6-3-7-11-17/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3.
What are the key properties of 4-[benzyl(methyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one?
4-[benzyl(methyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 271.36 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 5302913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).