(5S,9R)-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6,8-trione

C15H16N2O4 — CID 163203676

IUPAC(5S,9R)-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6,8-trione
SMILESCOc1cccc([C@H]2C(=O)N(C)C(=O)[C@]23CCC(=O)N3)c1
InChIInChI=1S/C15H16N2O4/c1-17-13(19)12(9-4-3-5-10(8-9)21-2)15(14(17)20)7-6-11(18)16-15/h3-5,8,12H,6-7H2,1-2H3,(H,16,18)/t12-,15-/m0/s1
InChIKeyVPRVPRYCEMEORA-WFASDCNBSA-N
MW288.30 g/mol
LogP0.43
Rot. Bonds2

About (5S,9R)-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6,8-trione

(5S,9R)-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6,8-trione (PubChem CID 163203676) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is (5S,9R)-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6,8-trione.

Molecular Properties

Compound Name(5S,9R)-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6,8-trione
PubChem CID163203676
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name(5S,9R)-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6,8-trione
SMILESCOc1cccc([C@H]2C(=O)N(C)C(=O)[C@]23CCC(=O)N3)c1
InChIInChI=1S/C15H16N2O4/c1-17-13(19)12(9-4-3-5-10(8-9)21-2)15(14(17)20)7-6-11(18)16-15/h3-5,8,12H,6-7H2,1-2H3,(H,16,18)/t12-,15-/m0/s1
InChIKeyVPRVPRYCEMEORA-WFASDCNBSA-N
XLogP0.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(5S,9R)-8-hydroxy-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6-dione
CID 163203672
(3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 53466595
5-hydroxy-4-(3-methoxyphenyl)-5-methylpyrrolidin-2-one
CID 71170186
7-(3-methoxyphenyl)azepan-2-one
CID 12665502
(8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one
CID 125450834
(2R)-2-(3-methoxyphenyl)cyclobutan-1-one
CID 129415891
5-(3-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83241897
(5R,9S)-9-(3-methoxyphenyl)-1,7-dioxaspiro[4.4]nonan-8-one
CID 102482576
4-(3-methoxyphenyl)-3-methylpiperidine-2,6-dione
CID 79317793
(2R)-2-(3-methoxyphenyl)-4,4-dimethylcyclohexan-1-one
CID 124560423
2-(3-methoxyphenyl)-1,3-dimethylimidazolidine
CID 14361742
(4S)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 973945

Frequently Asked Questions

What is the IUPAC name of (5S,9R)-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6,8-trione?
The IUPAC name of (5S,9R)-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6,8-trione (CID 163203676) is (5S,9R)-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6,8-trione.
What is the SMILES notation for (5S,9R)-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6,8-trione?
The canonical SMILES for (5S,9R)-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6,8-trione is COc1cccc([C@H]2C(=O)N(C)C(=O)[C@]23CCC(=O)N3)c1.
What is the InChIKey of (5S,9R)-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6,8-trione?
The InChIKey is VPRVPRYCEMEORA-WFASDCNBSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-17-13(19)12(9-4-3-5-10(8-9)21-2)15(14(17)20)7-6-11(18)16-15/h3-5,8,12H,6-7H2,1-2H3,(H,16,18)/t12-,15-/m0/s1.
What are the key properties of (5S,9R)-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6,8-trione?
(5S,9R)-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6,8-trione has a molecular weight of 288.30 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9R)-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6,8-trione is sourced from PubChem (CID 163203676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).