[aminomethyl(oxomethyl)amino]methanone;bis([[bis(oxomethyl)amino]methyl-(oxomethyl)amino]methanone);methane;oxomethoxymethanone;tetrakis(yttrium)

C24H28N8O18Y4-16 — CID 158356926

IUPAC[aminomethyl(oxomethyl)amino]methanone;bis([[bis(oxomethyl)amino]methyl-(oxomethyl)amino]methanone);methane;oxomethoxymethanone;tetrakis(yttrium)
SMILESC.C.C.C.NCN([C-]=O)[C-]=O.NCN([C-]=O)[C-]=O.O=[C-]N([C-]=O)CN([C-]=O)[C-]=O.O=[C-]N([C-]=O)CN([C-]=O)[C-]=O.O=[C-]O[C-]=O.O=[C-]O[C-]=O.[Y].[Y].[Y].[Y]
InChIInChI=1S/2C5H2N2O4.2C3H4N2O2.2C2O3.4CH4.4Y/c2*8-2-6(3-9)1-7(4-10)5-11;2*4-1-5(2-6)3-7;2*3-1-5-2-4;;;;;;;;/h2*1H2;2*1,4H2;;;4*1H4;;;;/q2*-4;4*-2;;;;;;;;
InChIKeyMSWVVILVXMZGDL-UHFFFAOYSA-N
MW1072.15 g/mol
LogP-6.88
Rot. Bonds22

About [aminomethyl(oxomethyl)amino]methanone;bis([[bis(oxomethyl)amino]methyl-(oxomethyl)amino]methanone);methane;oxomethoxymethanone;tetrakis(yttrium)

[aminomethyl(oxomethyl)amino]methanone;bis([[bis(oxomethyl)amino]methyl-(oxomethyl)amino]methanone);methane;oxomethoxymethanone;tetrakis(yttrium) (PubChem CID 158356926) has the molecular formula C24H28N8O18Y4-16 and a molecular weight of 1072.15 g/mol. Its IUPAC name is [aminomethyl(oxomethyl)amino]methanone;bis([[bis(oxomethyl)amino]methyl-(oxomethyl)amino]methanone);methane;oxomethoxymethanone;tetrakis(yttrium).

Molecular Properties

Compound Name[aminomethyl(oxomethyl)amino]methanone;bis([[bis(oxomethyl)amino]methyl-(oxomethyl)amino]methanone);methane;oxomethoxymethanone;tetrakis(yttrium)
PubChem CID158356926
Molecular FormulaC24H28N8O18Y4-16
Molecular Weight1072.15 g/mol
Exact Mass1071.78
IUPAC Name[aminomethyl(oxomethyl)amino]methanone;bis([[bis(oxomethyl)amino]methyl-(oxomethyl)amino]methanone);methane;oxomethoxymethanone;tetrakis(yttrium)
SMILESC.C.C.C.NCN([C-]=O)[C-]=O.NCN([C-]=O)[C-]=O.O=[C-]N([C-]=O)CN([C-]=O)[C-]=O.O=[C-]N([C-]=O)CN([C-]=O)[C-]=O.O=[C-]O[C-]=O.O=[C-]O[C-]=O.[Y].[Y].[Y].[Y]
InChIInChI=1S/2C5H2N2O4.2C3H4N2O2.2C2O3.4CH4.4Y/c2*8-2-6(3-9)1-7(4-10)5-11;2*4-1-5(2-6)3-7;2*3-1-5-2-4;;;;;;;;/h2*1H2;2*1,4H2;;;4*1H4;;;;/q2*-4;4*-2;;;;;;;;
InChIKeyMSWVVILVXMZGDL-UHFFFAOYSA-N
XLogP-6.88
TPSA363.06 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001072.15
LogP ≤ 5-6.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'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

methylazanide;oxomethoxymethanone;tungsten;yttrium
CID 59966127
bis(copper(1+));oxomethoxymethanone
CID 170173463
oxomethoxymethanone;praseodymium
CID 59050704
hydroxymethanone;methane;oxomethoxymethanone;[(oxomethylamino)methylamino]methanone;tris(yttrium)
CID 161458653
oxomethoxymethanone;phosphanylazanide;tungsten;tungsten(2+)
CID 59860310
N-(aminomethyl)-N-formylformamide
CID 158356927
methane;methanol;methoxymethanone;yttrium
CID 157175911
CID 158976766
CID 158976766
methylphosphanyloxymethanone;tetrakis(yttrium)
CID 160792826
N'-[[(disilylamino)methyl-silylamino]methyl]-N'-silylmethanediamine
CID 160691635
N,N-dimethylpropan-2-amine;ethoxymethanone;yttrium
CID 59879059
ethanone;(methylaminomethylamino)methanone;yttrium
CID 147459243

Frequently Asked Questions

What is the IUPAC name of [aminomethyl(oxomethyl)amino]methanone;bis([[bis(oxomethyl)amino]methyl-(oxomethyl)amino]methanone);methane;oxomethoxymethanone;tetrakis(yttrium)?
The IUPAC name of [aminomethyl(oxomethyl)amino]methanone;bis([[bis(oxomethyl)amino]methyl-(oxomethyl)amino]methanone);methane;oxomethoxymethanone;tetrakis(yttrium) (CID 158356926) is [aminomethyl(oxomethyl)amino]methanone;bis([[bis(oxomethyl)amino]methyl-(oxomethyl)amino]methanone);methane;oxomethoxymethanone;tetrakis(yttrium).
What is the SMILES notation for [aminomethyl(oxomethyl)amino]methanone;bis([[bis(oxomethyl)amino]methyl-(oxomethyl)amino]methanone);methane;oxomethoxymethanone;tetrakis(yttrium)?
The canonical SMILES for [aminomethyl(oxomethyl)amino]methanone;bis([[bis(oxomethyl)amino]methyl-(oxomethyl)amino]methanone);methane;oxomethoxymethanone;tetrakis(yttrium) is C.C.C.C.NCN([C-]=O)[C-]=O.NCN([C-]=O)[C-]=O.O=[C-]N([C-]=O)CN([C-]=O)[C-]=O.O=[C-]N([C-]=O)CN([C-]=O)[C-]=O.O=[C-]O[C-]=O.O=[C-]O[C-]=O.[Y].[Y].[Y].[Y].
What is the InChIKey of [aminomethyl(oxomethyl)amino]methanone;bis([[bis(oxomethyl)amino]methyl-(oxomethyl)amino]methanone);methane;oxomethoxymethanone;tetrakis(yttrium)?
The InChIKey is MSWVVILVXMZGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H2N2O4.2C3H4N2O2.2C2O3.4CH4.4Y/c2*8-2-6(3-9)1-7(4-10)5-11;2*4-1-5(2-6)3-7;2*3-1-5-2-4;;;;;;;;/h2*1H2;2*1,4H2;;;4*1H4;;;;/q2*-4;4*-2;;;;;;;;.
What are the key properties of [aminomethyl(oxomethyl)amino]methanone;bis([[bis(oxomethyl)amino]methyl-(oxomethyl)amino]methanone);methane;oxomethoxymethanone;tetrakis(yttrium)?
[aminomethyl(oxomethyl)amino]methanone;bis([[bis(oxomethyl)amino]methyl-(oxomethyl)amino]methanone);methane;oxomethoxymethanone;tetrakis(yttrium) has a molecular weight of 1072.15 g/mol, XLogP of -6.88, 22 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [aminomethyl(oxomethyl)amino]methanone;bis([[bis(oxomethyl)amino]methyl-(oxomethyl)amino]methanone);methane;oxomethoxymethanone;tetrakis(yttrium) is sourced from PubChem (CID 158356926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).