dimethylazanide;[(Z)-2-methylbut-2-enoyl]azanide;molecular iodine;yttrium

C7H14I2N2OY-2 — CID 158847583

IUPACdimethylazanide;[(Z)-2-methylbut-2-enoyl]azanide;molecular iodine;yttrium
SMILESC/C=C(/C)C([NH-])=O.C[N-]C.II.[Y]
InChIInChI=1S/C5H9NO.C2H6N.I2.Y/c1-3-4(2)5(6)7;1-3-2;1-2;/h3H,1-2H3,(H2,6,7);1-2H3;;/q;-1;;/p-1/b4-3-;;;
InChIKeyDVZIYFNCGQQLMV-FGSKAQBVSA-M
MW484.92 g/mol
LogP3.92
Rot. Bonds1

About dimethylazanide;[(Z)-2-methylbut-2-enoyl]azanide;molecular iodine;yttrium

dimethylazanide;[(Z)-2-methylbut-2-enoyl]azanide;molecular iodine;yttrium (PubChem CID 158847583) has the molecular formula C7H14I2N2OY-2 and a molecular weight of 484.92 g/mol. Its IUPAC name is dimethylazanide;[(Z)-2-methylbut-2-enoyl]azanide;molecular iodine;yttrium.

Molecular Properties

Compound Namedimethylazanide;[(Z)-2-methylbut-2-enoyl]azanide;molecular iodine;yttrium
PubChem CID158847583
Molecular FormulaC7H14I2N2OY-2
Molecular Weight484.92 g/mol
Exact Mass484.83
IUPAC Namedimethylazanide;[(Z)-2-methylbut-2-enoyl]azanide;molecular iodine;yttrium
SMILESC/C=C(/C)C([NH-])=O.C[N-]C.II.[Y]
InChIInChI=1S/C5H9NO.C2H6N.I2.Y/c1-3-4(2)5(6)7;1-3-2;1-2;/h3H,1-2H3,(H2,6,7);1-2H3;;/q;-1;;/p-1/b4-3-;;;
InChIKeyDVZIYFNCGQQLMV-FGSKAQBVSA-M
XLogP3.92
TPSA54.97 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.92
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dimethylazanide;[(E)-2-methylbut-2-enoyl]azanide;yttrium(3+)
CID 22942575
dimethylazanide;methane;(Z)-2-methylbut-2-enoic acid;yttrium
CID 158291307
2-methylbut-2-enoic acid;yttrium
CID 76824008
(E)-3-methylpent-3-en-2-one;(Z)-3-methylpent-3-en-2-one
CID 101043004
(E)-3-methylpent-3-en-2-one;(Z)-3-methylpent-3-en-2-one;propan-2-one
CID 158336786
(2,3-dimethyl-4-nitrobutanoyl)azanide;[(Z)-2-methylbut-2-enoyl]azanide;sulfane;tungsten
CID 167569594
2-methylbut-2-enoate
CID 20982153
(E)-2-methylbut-2-enoic acid;hydrochloride
CID 87583281
acetic acid;(E)-2-methylbut-2-enoic acid
CID 88739712
2-methylbut-2-enoic acid;silane
CID 173038853
lithium acetylazanide
CID 13311602
acetylazanide;gold(3+)
CID 139033758

Frequently Asked Questions

What is the IUPAC name of dimethylazanide;[(Z)-2-methylbut-2-enoyl]azanide;molecular iodine;yttrium?
The IUPAC name of dimethylazanide;[(Z)-2-methylbut-2-enoyl]azanide;molecular iodine;yttrium (CID 158847583) is dimethylazanide;[(Z)-2-methylbut-2-enoyl]azanide;molecular iodine;yttrium.
What is the SMILES notation for dimethylazanide;[(Z)-2-methylbut-2-enoyl]azanide;molecular iodine;yttrium?
The canonical SMILES for dimethylazanide;[(Z)-2-methylbut-2-enoyl]azanide;molecular iodine;yttrium is C/C=C(/C)C([NH-])=O.C[N-]C.II.[Y].
What is the InChIKey of dimethylazanide;[(Z)-2-methylbut-2-enoyl]azanide;molecular iodine;yttrium?
The InChIKey is DVZIYFNCGQQLMV-FGSKAQBVSA-M. The full InChI is InChI=1S/C5H9NO.C2H6N.I2.Y/c1-3-4(2)5(6)7;1-3-2;1-2;/h3H,1-2H3,(H2,6,7);1-2H3;;/q;-1;;/p-1/b4-3-;;;.
What are the key properties of dimethylazanide;[(Z)-2-methylbut-2-enoyl]azanide;molecular iodine;yttrium?
dimethylazanide;[(Z)-2-methylbut-2-enoyl]azanide;molecular iodine;yttrium has a molecular weight of 484.92 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanide;[(Z)-2-methylbut-2-enoyl]azanide;molecular iodine;yttrium is sourced from PubChem (CID 158847583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).