(5S,9S)-7,7,9-trimethyl-2-(3-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one

C17H25N3O — CID 92503328

IUPAC(5S,9S)-7,7,9-trimethyl-2-(3-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one
SMILESCc1cccc(N2N[C@]3(C[C@@H](C)CC(C)(C)C3)NC2=O)c1
InChIInChI=1S/C17H25N3O/c1-12-6-5-7-14(8-12)20-15(21)18-17(19-20)10-13(2)9-16(3,4)11-17/h5-8,13,19H,9-11H2,1-4H3,(H,18,21)/t13-,17-/m0/s1
InChIKeyPKLNXHPADQTPDT-GUYCJALGSA-N
MW287.41 g/mol
LogP3.57
Rot. Bonds1

About (5S,9S)-7,7,9-trimethyl-2-(3-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one

(5S,9S)-7,7,9-trimethyl-2-(3-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one (PubChem CID 92503328) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (5S,9S)-7,7,9-trimethyl-2-(3-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(5S,9S)-7,7,9-trimethyl-2-(3-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one
PubChem CID92503328
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(5S,9S)-7,7,9-trimethyl-2-(3-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one
SMILESCc1cccc(N2N[C@]3(C[C@@H](C)CC(C)(C)C3)NC2=O)c1
InChIInChI=1S/C17H25N3O/c1-12-6-5-7-14(8-12)20-15(21)18-17(19-20)10-13(2)9-16(3,4)11-17/h5-8,13,19H,9-11H2,1-4H3,(H,18,21)/t13-,17-/m0/s1
InChIKeyPKLNXHPADQTPDT-GUYCJALGSA-N
XLogP3.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5S,9S)-7,7,9-trimethyl-2-(3-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

(5R,9R)-7,7,9-trimethyl-2-(3-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one
CID 92503325
2-(3-methylphenyl)-1,2,4-triazaspiro[4.6]undecan-3-one
CID 46367653
(5S,9R)-7,7,9-trimethyl-2-(4-methylphenyl)-1,2,4-triazaspiro[4.5]decane-3-thione
CID 704189
(5R,9R)-2-(3,4-dimethylphenyl)-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione
CID 706643
(5R,9S)-2-(4-chlorophenyl)-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione
CID 919922
6-methyl-3-(3-methylphenyl)-1,3-diazepane-2,4-dione
CID 81070323
2-(3-methylphenoxy)ethyl 2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7651677
3-cyclopropyl-3-methyl-1-(3-methylphenyl)piperazine-2,5-dione
CID 64959497
3-methyl-1-(3-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64959566
5,5-dimethyl-2-(3-nitrophenyl)-1,2,4-triazolidin-3-one
CID 134100301
2,5-dimethyl-1-(3-methylphenyl)pyrrolidine
CID 90931230
(4aS,7aR)-3,3-dimethyl-1-(3-methylphenyl)-6,6-dioxo-4a,5,7,7a-tetrahydro-4H-thieno[3,4-b]pyrazin-2-one
CID 22690179

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-7,7,9-trimethyl-2-(3-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one?
The IUPAC name of (5S,9S)-7,7,9-trimethyl-2-(3-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one (CID 92503328) is (5S,9S)-7,7,9-trimethyl-2-(3-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for (5S,9S)-7,7,9-trimethyl-2-(3-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one?
The canonical SMILES for (5S,9S)-7,7,9-trimethyl-2-(3-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one is Cc1cccc(N2N[C@]3(C[C@@H](C)CC(C)(C)C3)NC2=O)c1.
What is the InChIKey of (5S,9S)-7,7,9-trimethyl-2-(3-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one?
The InChIKey is PKLNXHPADQTPDT-GUYCJALGSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-6-5-7-14(8-12)20-15(21)18-17(19-20)10-13(2)9-16(3,4)11-17/h5-8,13,19H,9-11H2,1-4H3,(H,18,21)/t13-,17-/m0/s1.
What are the key properties of (5S,9S)-7,7,9-trimethyl-2-(3-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one?
(5S,9S)-7,7,9-trimethyl-2-(3-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one has a molecular weight of 287.41 g/mol, XLogP of 3.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-7,7,9-trimethyl-2-(3-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 92503328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).