carbanide;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium(3+)

C7H6N2O4Y+ — CID 22949766

IUPACcarbanide;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium(3+)
SMILESCN1C(=O)C2(C(=O)[N-]C2=O)C1=O.[CH3-].[Y+3]
InChIInChI=1S/C6H4N2O4.CH3.Y/c1-8-4(11)6(5(8)12)2(9)7-3(6)10;;/h1H3,(H,7,9,10);1H3;/q;-1;+3/p-1
InChIKeyVZBOJBFYGSFBHN-UHFFFAOYSA-M
MW271.04 g/mol
LogP-1.14
Rot. Bonds

About carbanide;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium(3+)

carbanide;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium(3+) (PubChem CID 22949766) has the molecular formula C7H6N2O4Y+ and a molecular weight of 271.04 g/mol. Its IUPAC name is carbanide;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium(3+).

Molecular Properties

Compound Namecarbanide;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium(3+)
PubChem CID22949766
Molecular FormulaC7H6N2O4Y+
Molecular Weight271.04 g/mol
Exact Mass270.94
IUPAC Namecarbanide;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium(3+)
SMILESCN1C(=O)C2(C(=O)[N-]C2=O)C1=O.[CH3-].[Y+3]
InChIInChI=1S/C6H4N2O4.CH3.Y/c1-8-4(11)6(5(8)12)2(9)7-3(6)10;;/h1H3,(H,7,9,10);1H3;/q;-1;+3/p-1
InChIKeyVZBOJBFYGSFBHN-UHFFFAOYSA-M
XLogP-1.14
TPSA85.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.04
LogP ≤ 5-1.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

carbanide;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;bis(yttrium)
CID 59444906
carbanide;methane;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium
CID 159147929
benzene;2,6-dimethyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;ethane
CID 90917596
2-(6-ethyl-1,3,5,7-tetraoxo-2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone
CID 58761315
2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone
CID 58903483
argon;ethane;1,3,5,6,6-pentamethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 160768974
ethane;6-methyl-2-[4-[(4-methylphenyl)methyl]phenyl]-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone
CID 91184318
(3aS,4S,7S,7aR)-2,3a,7a-trimethyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 57329903
benzene;carbanide;2,6-dimethyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;ethyl but-2-enoate;bis(vanadium)
CID 159781959
1,3,5,5-tetramethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 12636592
5,5-dihydroxy-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 1201402
(1S,5S)-3,6,6-trimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
CID 98047176

Frequently Asked Questions

What is the IUPAC name of carbanide;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium(3+)?
The IUPAC name of carbanide;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium(3+) (CID 22949766) is carbanide;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium(3+).
What is the SMILES notation for carbanide;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium(3+)?
The canonical SMILES for carbanide;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium(3+) is CN1C(=O)C2(C(=O)[N-]C2=O)C1=O.[CH3-].[Y+3].
What is the InChIKey of carbanide;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium(3+)?
The InChIKey is VZBOJBFYGSFBHN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4N2O4.CH3.Y/c1-8-4(11)6(5(8)12)2(9)7-3(6)10;;/h1H3,(H,7,9,10);1H3;/q;-1;+3/p-1.
What are the key properties of carbanide;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium(3+)?
carbanide;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium(3+) has a molecular weight of 271.04 g/mol, XLogP of -1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium(3+) is sourced from PubChem (CID 22949766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).