hydroxymethanone;methane;oxomethoxymethanone;[(oxomethylamino)methylamino]methanone;tris(yttrium)

C16H20N4O18Y3-12 — CID 161458653

IUPAChydroxymethanone;methane;oxomethoxymethanone;[(oxomethylamino)methylamino]methanone;tris(yttrium)
SMILESC.C.O=[C-]NCN[C-]=O.O=[C-]NCN[C-]=O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O[C-]=O.O=[C-]O[C-]=O.[Y].[Y].[Y]
InChIInChI=1S/2C3H4N2O2.2C2O3.4CHO2.2CH4.3Y/c2*6-2-4-1-5-3-7;2*3-1-5-2-4;4*2-1-3;;;;;/h2*1H2,(H,4,6)(H,5,7);;;4*(H,2,3);2*1H4;;;/q4*-2;4*-1;;;;;
InChIKeyMFQXNXOTBFWGQJ-UHFFFAOYSA-N
MW823.06 g/mol
LogP-5.50
Rot. Bonds12

About hydroxymethanone;methane;oxomethoxymethanone;[(oxomethylamino)methylamino]methanone;tris(yttrium)

hydroxymethanone;methane;oxomethoxymethanone;[(oxomethylamino)methylamino]methanone;tris(yttrium) (PubChem CID 161458653) has the molecular formula C16H20N4O18Y3-12 and a molecular weight of 823.06 g/mol. Its IUPAC name is hydroxymethanone;methane;oxomethoxymethanone;[(oxomethylamino)methylamino]methanone;tris(yttrium).

Molecular Properties

Compound Namehydroxymethanone;methane;oxomethoxymethanone;[(oxomethylamino)methylamino]methanone;tris(yttrium)
PubChem CID161458653
Molecular FormulaC16H20N4O18Y3-12
Molecular Weight823.06 g/mol
Exact Mass822.80
IUPAC Namehydroxymethanone;methane;oxomethoxymethanone;[(oxomethylamino)methylamino]methanone;tris(yttrium)
SMILESC.C.O=[C-]NCN[C-]=O.O=[C-]NCN[C-]=O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O[C-]=O.O=[C-]O[C-]=O.[Y].[Y].[Y]
InChIInChI=1S/2C3H4N2O2.2C2O3.4CHO2.2CH4.3Y/c2*6-2-4-1-5-3-7;2*3-1-5-2-4;4*2-1-3;;;;;/h2*1H2,(H,4,6)(H,5,7);;;4*(H,2,3);2*1H4;;;/q4*-2;4*-1;;;;;
InChIKeyMFQXNXOTBFWGQJ-UHFFFAOYSA-N
XLogP-5.50
TPSA352.34 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500823.06
LogP ≤ 5-5.50
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethanone;(methylaminomethylamino)methanone;yttrium
CID 147459243
oxomethoxymethanone;praseodymium
CID 59050704
bis(copper(1+));oxomethoxymethanone
CID 170173463
oxomethoxymethanone;vanadium(2+)
CID 153429418
potassium;hydroxymethanone;[2-(oxomethylamino)acetyl]azanide;tungsten;yttrium
CID 59171030
methylazanide;oxomethoxymethanone;tungsten;yttrium
CID 59966127
copper(1+);hydroxymethanone;methane
CID 174882093
hydroxymethanone
CID 54723866
aluminum;ethoxymethanone;hydroxymethanone
CID 173457242
carbanide;ethane;ethylaminomethanone;methane;bis(yttrium)
CID 158310887
CID 162461372
CID 162461372
[aminomethyl(oxomethyl)amino]methanone;bis([[bis(oxomethyl)amino]methyl-(oxomethyl)amino]methanone);methane;oxomethoxymethanone;tetrakis(yttrium)
CID 158356926

Frequently Asked Questions

What is the IUPAC name of hydroxymethanone;methane;oxomethoxymethanone;[(oxomethylamino)methylamino]methanone;tris(yttrium)?
The IUPAC name of hydroxymethanone;methane;oxomethoxymethanone;[(oxomethylamino)methylamino]methanone;tris(yttrium) (CID 161458653) is hydroxymethanone;methane;oxomethoxymethanone;[(oxomethylamino)methylamino]methanone;tris(yttrium).
What is the SMILES notation for hydroxymethanone;methane;oxomethoxymethanone;[(oxomethylamino)methylamino]methanone;tris(yttrium)?
The canonical SMILES for hydroxymethanone;methane;oxomethoxymethanone;[(oxomethylamino)methylamino]methanone;tris(yttrium) is C.C.O=[C-]NCN[C-]=O.O=[C-]NCN[C-]=O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O[C-]=O.O=[C-]O[C-]=O.[Y].[Y].[Y].
What is the InChIKey of hydroxymethanone;methane;oxomethoxymethanone;[(oxomethylamino)methylamino]methanone;tris(yttrium)?
The InChIKey is MFQXNXOTBFWGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H4N2O2.2C2O3.4CHO2.2CH4.3Y/c2*6-2-4-1-5-3-7;2*3-1-5-2-4;4*2-1-3;;;;;/h2*1H2,(H,4,6)(H,5,7);;;4*(H,2,3);2*1H4;;;/q4*-2;4*-1;;;;;.
What are the key properties of hydroxymethanone;methane;oxomethoxymethanone;[(oxomethylamino)methylamino]methanone;tris(yttrium)?
hydroxymethanone;methane;oxomethoxymethanone;[(oxomethylamino)methylamino]methanone;tris(yttrium) has a molecular weight of 823.06 g/mol, XLogP of -5.50, 12 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethanone;methane;oxomethoxymethanone;[(oxomethylamino)methylamino]methanone;tris(yttrium) is sourced from PubChem (CID 161458653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).