dimethylazanide;methane;(Z)-2-methylbut-2-enoic acid;yttrium

C8H18NO2Y- — CID 158291307

IUPACdimethylazanide;methane;(Z)-2-methylbut-2-enoic acid;yttrium
SMILESC.C/C=C(/C)C(=O)O.C[N-]C.[Y]
InChIInChI=1S/C5H8O2.C2H6N.CH4.Y/c1-3-4(2)5(6)7;1-3-2;;/h3H,1-2H3,(H,6,7);1-2H3;1H4;/q;-1;;/b4-3-;;;
InChIKeyNYVSPLYXSWZDBK-FGSKAQBVSA-N
MW249.14 g/mol
LogP2.29
Rot. Bonds1

About dimethylazanide;methane;(Z)-2-methylbut-2-enoic acid;yttrium

dimethylazanide;methane;(Z)-2-methylbut-2-enoic acid;yttrium (PubChem CID 158291307) has the molecular formula C8H18NO2Y- and a molecular weight of 249.14 g/mol. Its IUPAC name is dimethylazanide;methane;(Z)-2-methylbut-2-enoic acid;yttrium.

Molecular Properties

Compound Namedimethylazanide;methane;(Z)-2-methylbut-2-enoic acid;yttrium
PubChem CID158291307
Molecular FormulaC8H18NO2Y-
Molecular Weight249.14 g/mol
Exact Mass249.04
IUPAC Namedimethylazanide;methane;(Z)-2-methylbut-2-enoic acid;yttrium
SMILESC.C/C=C(/C)C(=O)O.C[N-]C.[Y]
InChIInChI=1S/C5H8O2.C2H6N.CH4.Y/c1-3-4(2)5(6)7;1-3-2;;/h3H,1-2H3,(H,6,7);1-2H3;1H4;/q;-1;;/b4-3-;;;
InChIKeyNYVSPLYXSWZDBK-FGSKAQBVSA-N
XLogP2.29
TPSA51.40 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylbut-2-enoic acid;yttrium
CID 76824008
(E)-2-methylbut-2-enoic acid;hydrochloride
CID 87583281
2-methylbut-2-enoic acid;silane
CID 173038853
acetic acid;(E)-2-methylbut-2-enoic acid
CID 88739712
N,N-dimethylmethanamine;(E)-2-methylbut-2-enoic acid
CID 173038911
cyclodecane;methanol;2-methylbut-2-enoic acid
CID 174824435
tris(cyclodecane);methanol;2-methylbut-2-enoic acid
CID 174470242
2-methylbut-2-enoic acid;3-methylbut-2-enoic acid
CID 158806773
dimethylazanide;[(Z)-2-methylbut-2-enoyl]azanide;molecular iodine;yttrium
CID 158847583
2-methylbut-2-enoic acid;pentane-1,5-diol
CID 174259555
2-methylbut-2-enoic acid;terephthalic acid
CID 161452509
2-methylbut-2-enoic acid;2-methylpropane-1,3-diol
CID 174817771

Frequently Asked Questions

What is the IUPAC name of dimethylazanide;methane;(Z)-2-methylbut-2-enoic acid;yttrium?
The IUPAC name of dimethylazanide;methane;(Z)-2-methylbut-2-enoic acid;yttrium (CID 158291307) is dimethylazanide;methane;(Z)-2-methylbut-2-enoic acid;yttrium.
What is the SMILES notation for dimethylazanide;methane;(Z)-2-methylbut-2-enoic acid;yttrium?
The canonical SMILES for dimethylazanide;methane;(Z)-2-methylbut-2-enoic acid;yttrium is C.C/C=C(/C)C(=O)O.C[N-]C.[Y].
What is the InChIKey of dimethylazanide;methane;(Z)-2-methylbut-2-enoic acid;yttrium?
The InChIKey is NYVSPLYXSWZDBK-FGSKAQBVSA-N. The full InChI is InChI=1S/C5H8O2.C2H6N.CH4.Y/c1-3-4(2)5(6)7;1-3-2;;/h3H,1-2H3,(H,6,7);1-2H3;1H4;/q;-1;;/b4-3-;;;.
What are the key properties of dimethylazanide;methane;(Z)-2-methylbut-2-enoic acid;yttrium?
dimethylazanide;methane;(Z)-2-methylbut-2-enoic acid;yttrium has a molecular weight of 249.14 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanide;methane;(Z)-2-methylbut-2-enoic acid;yttrium is sourced from PubChem (CID 158291307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).