(1-deuterioethylamino)methanone;deuterioformic acid;hydroxymethanone;methylaminomethanone;yttrium(3+)

C7H13N2O6Y — CID 160620303

IUPAC(1-deuterioethylamino)methanone;deuterioformic acid;hydroxymethanone;methylaminomethanone;yttrium(3+)
SMILESCN[C-]=O.O=[C-]O.[2H]C(=O)O.[2H]C(C)N[C-]=O.[Y+3]
InChIInChI=1S/C3H6NO.C2H4NO.CH2O2.CHO2.Y/c1-2-4-3-5;1-3-2-4;2*2-1-3;/h2H2,1H3,(H,4,5);1H3,(H,3,4);1H,(H,2,3);(H,2,3);/q2*-1;;-1;+3/i2D;;1D;;
InChIKeySZEJZMYLLHMHNM-GYSGVULPSA-N
MW312.11 g/mol
LogP-1.75
Rot. Bonds3

About (1-deuterioethylamino)methanone;deuterioformic acid;hydroxymethanone;methylaminomethanone;yttrium(3+)

(1-deuterioethylamino)methanone;deuterioformic acid;hydroxymethanone;methylaminomethanone;yttrium(3+) (PubChem CID 160620303) has the molecular formula C7H13N2O6Y and a molecular weight of 312.11 g/mol. Its IUPAC name is (1-deuterioethylamino)methanone;deuterioformic acid;hydroxymethanone;methylaminomethanone;yttrium(3+).

Molecular Properties

Compound Name(1-deuterioethylamino)methanone;deuterioformic acid;hydroxymethanone;methylaminomethanone;yttrium(3+)
PubChem CID160620303
Molecular FormulaC7H13N2O6Y
Molecular Weight312.11 g/mol
Exact Mass312.00
IUPAC Name(1-deuterioethylamino)methanone;deuterioformic acid;hydroxymethanone;methylaminomethanone;yttrium(3+)
SMILESCN[C-]=O.O=[C-]O.[2H]C(=O)O.[2H]C(C)N[C-]=O.[Y+3]
InChIInChI=1S/C3H6NO.C2H4NO.CH2O2.CHO2.Y/c1-2-4-3-5;1-3-2-4;2*2-1-3;/h2H2,1H3,(H,4,5);1H3,(H,3,4);1H,(H,2,3);(H,2,3);/q2*-1;;-1;+3/i2D;;1D;;
InChIKeySZEJZMYLLHMHNM-GYSGVULPSA-N
XLogP-1.75
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethylpropane;fermium;methanol;2-(oxomethylamino)acetaldehyde
CID 168994657
formic acid;hydroxymethanone;zinc
CID 87378255
carbanide;ethylaminomethanone;tungsten(2+)
CID 21334677
deuterioformic acid;tungsten
CID 59061397
1-deuterio-2-(propylamino)ethanone
CID 59380764
N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-(oxomethylamino)acetamide;fermium;formic acid
CID 176672168
hydroxymethanone
CID 54723866
formic acid;2-oxobutanoic acid
CID 121364705
carbanide;ethane;ethylaminomethanone;methane;bis(yttrium)
CID 158310887
[(2R)-2-aminobutanoyl]-methylazanide;methylaminomethanone;yttrium
CID 59978126
methylaminomethanone;methyl-[(2S)-2-methylbutanoyl]azanide;yttrium
CID 59978114
potassium;hydroxymethanone;[2-(oxomethylamino)acetyl]azanide;tungsten;yttrium
CID 59171030

Frequently Asked Questions

What is the IUPAC name of (1-deuterioethylamino)methanone;deuterioformic acid;hydroxymethanone;methylaminomethanone;yttrium(3+)?
The IUPAC name of (1-deuterioethylamino)methanone;deuterioformic acid;hydroxymethanone;methylaminomethanone;yttrium(3+) (CID 160620303) is (1-deuterioethylamino)methanone;deuterioformic acid;hydroxymethanone;methylaminomethanone;yttrium(3+).
What is the SMILES notation for (1-deuterioethylamino)methanone;deuterioformic acid;hydroxymethanone;methylaminomethanone;yttrium(3+)?
The canonical SMILES for (1-deuterioethylamino)methanone;deuterioformic acid;hydroxymethanone;methylaminomethanone;yttrium(3+) is CN[C-]=O.O=[C-]O.[2H]C(=O)O.[2H]C(C)N[C-]=O.[Y+3].
What is the InChIKey of (1-deuterioethylamino)methanone;deuterioformic acid;hydroxymethanone;methylaminomethanone;yttrium(3+)?
The InChIKey is SZEJZMYLLHMHNM-GYSGVULPSA-N. The full InChI is InChI=1S/C3H6NO.C2H4NO.CH2O2.CHO2.Y/c1-2-4-3-5;1-3-2-4;2*2-1-3;/h2H2,1H3,(H,4,5);1H3,(H,3,4);1H,(H,2,3);(H,2,3);/q2*-1;;-1;+3/i2D;;1D;;.
What are the key properties of (1-deuterioethylamino)methanone;deuterioformic acid;hydroxymethanone;methylaminomethanone;yttrium(3+)?
(1-deuterioethylamino)methanone;deuterioformic acid;hydroxymethanone;methylaminomethanone;yttrium(3+) has a molecular weight of 312.11 g/mol, XLogP of -1.75, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-deuterioethylamino)methanone;deuterioformic acid;hydroxymethanone;methylaminomethanone;yttrium(3+) is sourced from PubChem (CID 160620303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).