2-methylprop-2-enoic acid;prop-1-ene;zinc

C7H11O2Zn- — CID 174795335

IUPAC2-methylprop-2-enoic acid;prop-1-ene;zinc
SMILESC=CC.[H]/[C-]=C(/C)C(=O)O.[Zn]
InChIInChI=1S/C4H5O2.C3H6.Zn/c1-3(2)4(5)6;1-3-2;/h1H,2H3,(H,5,6);3H,1H2,2H3;/q-1;;
InChIKeyCCHLKWISZYCZLZ-UHFFFAOYSA-N
MW192.55 g/mol
LogP1.64
Rot. Bonds1

About 2-methylprop-2-enoic acid;prop-1-ene;zinc

2-methylprop-2-enoic acid;prop-1-ene;zinc (PubChem CID 174795335) has the molecular formula C7H11O2Zn- and a molecular weight of 192.55 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;prop-1-ene;zinc.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;prop-1-ene;zinc
PubChem CID174795335
Molecular FormulaC7H11O2Zn-
Molecular Weight192.55 g/mol
Exact Mass191.01
IUPAC Name2-methylprop-2-enoic acid;prop-1-ene;zinc
SMILESC=CC.[H]/[C-]=C(/C)C(=O)O.[Zn]
InChIInChI=1S/C4H5O2.C3H6.Zn/c1-3(2)4(5)6;1-3-2;/h1H,2H3,(H,5,6);3H,1H2,2H3;/q-1;;
InChIKeyCCHLKWISZYCZLZ-UHFFFAOYSA-N
XLogP1.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.55
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-2-enoic acid;tris(prop-1-ene)
CID 160578185
acetic acid;carbonic acid;prop-1-ene
CID 87718804
benzene;propan-2-one;prop-1-ene
CID 90994194
carbonic acid;prop-1-ene;trihydrofluoride
CID 174985064
carbonic acid;phosphane;prop-1-ene
CID 174648548
azane;bis(propan-2-one);bis(prop-1-ene);dihydrate
CID 157292140
bis(prop-1-ene);prop-2-enoic acid
CID 118194844
ethanethioic S-acid;prop-1-ene
CID 174856563
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene)
CID 174760131
2-methylprop-1-ene;2-methylprop-2-enoic acid;prop-1-ene;prop-2-enoic acid
CID 162195098
propane;propan-2-one;prop-1-ene
CID 160807834
diazanium;prop-1-ene;diacetate
CID 159968490

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;prop-1-ene;zinc?
The IUPAC name of 2-methylprop-2-enoic acid;prop-1-ene;zinc (CID 174795335) is 2-methylprop-2-enoic acid;prop-1-ene;zinc.
What is the SMILES notation for 2-methylprop-2-enoic acid;prop-1-ene;zinc?
The canonical SMILES for 2-methylprop-2-enoic acid;prop-1-ene;zinc is C=CC.[H]/[C-]=C(/C)C(=O)O.[Zn].
What is the InChIKey of 2-methylprop-2-enoic acid;prop-1-ene;zinc?
The InChIKey is CCHLKWISZYCZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5O2.C3H6.Zn/c1-3(2)4(5)6;1-3-2;/h1H,2H3,(H,5,6);3H,1H2,2H3;/q-1;;.
What are the key properties of 2-methylprop-2-enoic acid;prop-1-ene;zinc?
2-methylprop-2-enoic acid;prop-1-ene;zinc has a molecular weight of 192.55 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;prop-1-ene;zinc is sourced from PubChem (CID 174795335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).