benzene;2,6-dimethyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;ethane

C19H30N2O4 — CID 90917596

IUPACbenzene;2,6-dimethyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;ethane
SMILESCC.CC.CC.CN1C(=O)C2(C1=O)C(=O)N(C)C2=O.c1ccccc1
InChIInChI=1S/C7H6N2O4.C6H6.3C2H6/c1-8-3(10)7(4(8)11)5(12)9(2)6(7)13;1-2-4-6-5-3-1;3*1-2/h1-2H3;1-6H;3*1-2H3
InChIKeyROPZLMAFCBMMQS-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.74
Rot. Bonds

About benzene;2,6-dimethyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;ethane

benzene;2,6-dimethyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;ethane (PubChem CID 90917596) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is benzene;2,6-dimethyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;ethane.

Molecular Properties

Compound Namebenzene;2,6-dimethyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;ethane
PubChem CID90917596
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Namebenzene;2,6-dimethyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;ethane
SMILESCC.CC.CC.CN1C(=O)C2(C1=O)C(=O)N(C)C2=O.c1ccccc1
InChIInChI=1S/C7H6N2O4.C6H6.3C2H6/c1-8-3(10)7(4(8)11)5(12)9(2)6(7)13;1-2-4-6-5-3-1;3*1-2/h1-2H3;1-6H;3*1-2H3
InChIKeyROPZLMAFCBMMQS-UHFFFAOYSA-N
XLogP2.74
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze benzene;2,6-dimethyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene;carbanide;2,6-dimethyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;ethyl but-2-enoate;bis(vanadium)
CID 159781959
carbanide;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;bis(yttrium)
CID 59444906
carbanide;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium(3+)
CID 22949766
ethane;6-methyl-2-[4-[(4-methylphenyl)methyl]phenyl]-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone
CID 91184318
1-methoxy-3-methyl-5,5-diphenyl-1,3-diazinane-2,4,6-trione
CID 161316865
carbanide;methane;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium
CID 159147929
argon;ethane;1,3,5,6,6-pentamethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 160768974
ethane;3,5,5-trimethyl-1-phenylimidazolidine-2,4-dione
CID 90723547
3,3-difluoro-1,4-dimethylindol-2-one;ethane
CID 164860376
2,6-dimethyl-1,5-diazaspiro[3.3]hepta-1,5-diene;2,6-dimethyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;ethane;methane;2-methyl-3H-indole;naphthalene;toluene
CID 158429852
2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone
CID 58903483
1,3,3-trimethyl-5-phenylpyrrol-2-one
CID 132938819

Frequently Asked Questions

What is the IUPAC name of benzene;2,6-dimethyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;ethane?
The IUPAC name of benzene;2,6-dimethyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;ethane (CID 90917596) is benzene;2,6-dimethyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;ethane.
What is the SMILES notation for benzene;2,6-dimethyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;ethane?
The canonical SMILES for benzene;2,6-dimethyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;ethane is CC.CC.CC.CN1C(=O)C2(C1=O)C(=O)N(C)C2=O.c1ccccc1.
What is the InChIKey of benzene;2,6-dimethyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;ethane?
The InChIKey is ROPZLMAFCBMMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O4.C6H6.3C2H6/c1-8-3(10)7(4(8)11)5(12)9(2)6(7)13;1-2-4-6-5-3-1;3*1-2/h1-2H3;1-6H;3*1-2H3.
What are the key properties of benzene;2,6-dimethyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;ethane?
benzene;2,6-dimethyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;ethane has a molecular weight of 350.46 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2,6-dimethyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;ethane is sourced from PubChem (CID 90917596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).