8-methyl-2-(2-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one

C15H21N3O — CID 118986500

IUPAC8-methyl-2-(2-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one
SMILESCc1ccccc1N1NC2(CCC(C)CC2)NC1=O
InChIInChI=1S/C15H21N3O/c1-11-7-9-15(10-8-11)16-14(19)18(17-15)13-6-4-3-5-12(13)2/h3-6,11,17H,7-10H2,1-2H3,(H,16,19)
InChIKeyBPJQJGSWNZRLSA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.94
Rot. Bonds1

About 8-methyl-2-(2-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one

8-methyl-2-(2-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one (PubChem CID 118986500) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 8-methyl-2-(2-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-methyl-2-(2-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one
PubChem CID118986500
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name8-methyl-2-(2-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one
SMILESCc1ccccc1N1NC2(CCC(C)CC2)NC1=O
InChIInChI=1S/C15H21N3O/c1-11-7-9-15(10-8-11)16-14(19)18(17-15)13-6-4-3-5-12(13)2/h3-6,11,17H,7-10H2,1-2H3,(H,16,19)
InChIKeyBPJQJGSWNZRLSA-UHFFFAOYSA-N
XLogP2.94
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(2-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one?
The IUPAC name of 8-methyl-2-(2-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one (CID 118986500) is 8-methyl-2-(2-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-methyl-2-(2-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-methyl-2-(2-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one is Cc1ccccc1N1NC2(CCC(C)CC2)NC1=O.
What is the InChIKey of 8-methyl-2-(2-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one?
The InChIKey is BPJQJGSWNZRLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-7-9-15(10-8-11)16-14(19)18(17-15)13-6-4-3-5-12(13)2/h3-6,11,17H,7-10H2,1-2H3,(H,16,19).
What are the key properties of 8-methyl-2-(2-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one?
8-methyl-2-(2-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one has a molecular weight of 259.35 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(2-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 118986500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).