3-(2-methoxyphenyl)-4-methyl-1-azaspiro[4.5]dec-3-en-2-one

C17H21NO2 — CID 142661519

IUPAC3-(2-methoxyphenyl)-4-methyl-1-azaspiro[4.5]dec-3-en-2-one
SMILESCOc1ccccc1C1=C(C)C2(CCCCC2)NC1=O
InChIInChI=1S/C17H21NO2/c1-12-15(13-8-4-5-9-14(13)20-2)16(19)18-17(12)10-6-3-7-11-17/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,18,19)
InChIKeySWYLFTDBBOUQLJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.30
Rot. Bonds2

About 3-(2-methoxyphenyl)-4-methyl-1-azaspiro[4.5]dec-3-en-2-one

3-(2-methoxyphenyl)-4-methyl-1-azaspiro[4.5]dec-3-en-2-one (PubChem CID 142661519) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-4-methyl-1-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-4-methyl-1-azaspiro[4.5]dec-3-en-2-one
PubChem CID142661519
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-(2-methoxyphenyl)-4-methyl-1-azaspiro[4.5]dec-3-en-2-one
SMILESCOc1ccccc1C1=C(C)C2(CCCCC2)NC1=O
InChIInChI=1S/C17H21NO2/c1-12-15(13-8-4-5-9-14(13)20-2)16(19)18-17(12)10-6-3-7-11-17/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,18,19)
InChIKeySWYLFTDBBOUQLJ-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-4-methyl-1-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-(2-methoxyphenyl)-4-methyl-1-azaspiro[4.5]dec-3-en-2-one (CID 142661519) is 3-(2-methoxyphenyl)-4-methyl-1-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-4-methyl-1-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-(2-methoxyphenyl)-4-methyl-1-azaspiro[4.5]dec-3-en-2-one is COc1ccccc1C1=C(C)C2(CCCCC2)NC1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-4-methyl-1-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is SWYLFTDBBOUQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-15(13-8-4-5-9-14(13)20-2)16(19)18-17(12)10-6-3-7-11-17/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,18,19).
What are the key properties of 3-(2-methoxyphenyl)-4-methyl-1-azaspiro[4.5]dec-3-en-2-one?
3-(2-methoxyphenyl)-4-methyl-1-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 271.36 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-4-methyl-1-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 142661519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).