7-benzyl-2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione

C15H16N2O3 — CID 2868934

IUPAC7-benzyl-2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione
SMILESCN1C(=O)CC2(CC(=O)N(Cc3ccccc3)C2)C1=O
InChIInChI=1S/C15H16N2O3/c1-16-12(18)7-15(14(16)20)8-13(19)17(10-15)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyBJXWKDYLCKBAMS-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.79
Rot. Bonds2

About 7-benzyl-2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione

7-benzyl-2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione (PubChem CID 2868934) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 7-benzyl-2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione.

Molecular Properties

Compound Name7-benzyl-2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione
PubChem CID2868934
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name7-benzyl-2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione
SMILESCN1C(=O)CC2(CC(=O)N(Cc3ccccc3)C2)C1=O
InChIInChI=1S/C15H16N2O3/c1-16-12(18)7-15(14(16)20)8-13(19)17(10-15)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyBJXWKDYLCKBAMS-UHFFFAOYSA-N
XLogP0.79
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Phenylmethyl)-2,5-pyrrolidinedione
CID 95241
N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3239373
1-Benzyl-4,4-dimethylpiperidine-2,6-dione
CID 4417522
1-(1-Phenyl-4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidine-2,5-dione
CID 15014566
(3aR,7R,7aS)-2-benzyl-7-(pyrrolidine-1-carbonyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 127050628
(3aR,6S,7R,7aS)-2-benzyl-6-methyl-7-(pyrrolidine-1-carbonyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 127050629
1-Benzyl-3-(dipropylamino)pyrrolidine-2,5-dione
CID 664673
4-(3,5-Dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 24981746
2-[(3S)-1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide
CID 46903028
(3aR,6aS)-5-[(2,5-difluorophenyl)methyl]-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 110876241
2-(Cyclopentylmethyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45171090
2-Benzyl-8-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 117890825

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione?
The IUPAC name of 7-benzyl-2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione (CID 2868934) is 7-benzyl-2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione.
What is the SMILES notation for 7-benzyl-2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione?
The canonical SMILES for 7-benzyl-2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione is CN1C(=O)CC2(CC(=O)N(Cc3ccccc3)C2)C1=O.
What is the InChIKey of 7-benzyl-2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione?
The InChIKey is BJXWKDYLCKBAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-16-12(18)7-15(14(16)20)8-13(19)17(10-15)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3.
What are the key properties of 7-benzyl-2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione?
7-benzyl-2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione has a molecular weight of 272.30 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione is sourced from PubChem (CID 2868934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).