methyl 2-methylprop-2-enoate;nickel

C5H8NiO2 — CID 88732958

IUPACmethyl 2-methylprop-2-enoate;nickel
SMILESC=C(C)C(=O)OC.[Ni]
InChIInChI=1S/C5H8O2.Ni/c1-4(2)5(6)7-3;/h1H2,2-3H3;
InChIKeyGRNZWQIPBPYVJO-UHFFFAOYSA-N
MW158.81 g/mol
LogP0.73
Rot. Bonds1

About methyl 2-methylprop-2-enoate;nickel

methyl 2-methylprop-2-enoate;nickel (PubChem CID 88732958) has the molecular formula C5H8NiO2 and a molecular weight of 158.81 g/mol. Its IUPAC name is methyl 2-methylprop-2-enoate;nickel.

Molecular Properties

Compound Namemethyl 2-methylprop-2-enoate;nickel
PubChem CID88732958
Molecular FormulaC5H8NiO2
Molecular Weight158.81 g/mol
Exact Mass157.99
IUPAC Namemethyl 2-methylprop-2-enoate;nickel
SMILESC=C(C)C(=O)OC.[Ni]
InChIInChI=1S/C5H8O2.Ni/c1-4(2)5(6)7-3;/h1H2,2-3H3;
InChIKeyGRNZWQIPBPYVJO-UHFFFAOYSA-N
XLogP0.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.81
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
methyl 2-methylprop-2-enoate;polane
CID 173074189
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
azane;ethane;bis(methyl 2-methylprop-2-enoate)
CID 173203662
deuterium monohydride;methyl 2-methylprop-2-enoate
CID 161063033
carbonodithioic S,S-acid;methyl 2-methylprop-2-enoate
CID 87195360
acetic acid;acetylene;methyl 2-methylprop-2-enoate
CID 88821199
benzene;methane;bis(methyl 2-methylprop-2-enoate)
CID 174531928
methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;trihydrochloride
CID 172746567
methyl 2-methylprop-2-enoate;tribromobismuthane
CID 88520030

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylprop-2-enoate;nickel?
The IUPAC name of methyl 2-methylprop-2-enoate;nickel (CID 88732958) is methyl 2-methylprop-2-enoate;nickel.
What is the SMILES notation for methyl 2-methylprop-2-enoate;nickel?
The canonical SMILES for methyl 2-methylprop-2-enoate;nickel is C=C(C)C(=O)OC.[Ni].
What is the InChIKey of methyl 2-methylprop-2-enoate;nickel?
The InChIKey is GRNZWQIPBPYVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.Ni/c1-4(2)5(6)7-3;/h1H2,2-3H3;.
What are the key properties of methyl 2-methylprop-2-enoate;nickel?
methyl 2-methylprop-2-enoate;nickel has a molecular weight of 158.81 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylprop-2-enoate;nickel is sourced from PubChem (CID 88732958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).