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

C9H14N2O4Y-2 — CID 159147929

IUPACcarbanide;methane;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium
SMILESC.C.CN1C(=O)C2(C(=O)[N-]C2=O)C1=O.[CH3-].[Y]
InChIInChI=1S/C6H4N2O4.2CH4.CH3.Y/c1-8-4(11)6(5(8)12)2(9)7-3(6)10;;;;/h1H3,(H,7,9,10);2*1H4;1H3;/q;;;-1;/p-1
InChIKeyQTUUEXIAHGMGKD-UHFFFAOYSA-M
MW303.13 g/mol
LogP0.13
Rot. Bonds

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

carbanide;methane;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium (PubChem CID 159147929) has the molecular formula C9H14N2O4Y-2 and a molecular weight of 303.13 g/mol. Its IUPAC name is carbanide;methane;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium.

Molecular Properties

Compound Namecarbanide;methane;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium
PubChem CID159147929
Molecular FormulaC9H14N2O4Y-2
Molecular Weight303.13 g/mol
Exact Mass303.00
IUPAC Namecarbanide;methane;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium
SMILESC.C.CN1C(=O)C2(C(=O)[N-]C2=O)C1=O.[CH3-].[Y]
InChIInChI=1S/C6H4N2O4.2CH4.CH3.Y/c1-8-4(11)6(5(8)12)2(9)7-3(6)10;;;;/h1H3,(H,7,9,10);2*1H4;1H3;/q;;;-1;/p-1
InChIKeyQTUUEXIAHGMGKD-UHFFFAOYSA-M
XLogP0.13
TPSA85.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.13
LogP ≤ 50.13
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;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium(3+)
CID 22949766
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
methane;3,5,5-trimethyl-1,3-oxazolidine-2,4-dione
CID 157467246
azanidacyclobutane-2,4-dione;carbanide;ethane;methane;1-methylazetidine-2,4-dione;propan-2-one;propan-2-one;tris(yttrium)
CID 160766785
benzene;carbanide;2,6-dimethyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;ethyl but-2-enoate;bis(vanadium)
CID 159781959
methane;2-methyl-9-(4-methylcyclohexyl)-2,9-diazadispiro[3.2.37.24]dodecane-1,3,8,10-tetrone;yttrium
CID 162162945

Frequently Asked Questions

What is the IUPAC name of carbanide;methane;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium?
The IUPAC name of carbanide;methane;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium (CID 159147929) is carbanide;methane;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium.
What is the SMILES notation for carbanide;methane;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium?
The canonical SMILES for carbanide;methane;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium is C.C.CN1C(=O)C2(C(=O)[N-]C2=O)C1=O.[CH3-].[Y].
What is the InChIKey of carbanide;methane;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium?
The InChIKey is QTUUEXIAHGMGKD-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4N2O4.2CH4.CH3.Y/c1-8-4(11)6(5(8)12)2(9)7-3(6)10;;;;/h1H3,(H,7,9,10);2*1H4;1H3;/q;;;-1;/p-1.
What are the key properties of carbanide;methane;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium?
carbanide;methane;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium has a molecular weight of 303.13 g/mol, XLogP of 0.13, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methane;2-methyl-2-aza-6-azanidaspiro[3.3]heptane-1,3,5,7-tetrone;yttrium is sourced from PubChem (CID 159147929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).