iron(2+);prop-2-enoic acid

C3H4FeO2+2 — CID 10290804

IUPACiron(2+);prop-2-enoic acid
SMILESC=CC(=O)O.[Fe+2]
InChIInChI=1S/C3H4O2.Fe/c1-2-3(4)5;/h2H,1H2,(H,4,5);/q;+2
InChIKeyHOAJOLWWKYYRKN-UHFFFAOYSA-N
MW127.91 g/mol
LogP0.25
Rot. Bonds1

About iron(2+);prop-2-enoic acid

iron(2+);prop-2-enoic acid (PubChem CID 10290804) has the molecular formula C3H4FeO2+2 and a molecular weight of 127.91 g/mol. Its IUPAC name is iron(2+);prop-2-enoic acid.

Molecular Properties

Compound Nameiron(2+);prop-2-enoic acid
PubChem CID10290804
Molecular FormulaC3H4FeO2+2
Molecular Weight127.91 g/mol
Exact Mass127.95
IUPAC Nameiron(2+);prop-2-enoic acid
SMILESC=CC(=O)O.[Fe+2]
InChIInChI=1S/C3H4O2.Fe/c1-2-3(4)5;/h2H,1H2,(H,4,5);/q;+2
InChIKeyHOAJOLWWKYYRKN-UHFFFAOYSA-N
XLogP0.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.91
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Acrylic acid potassium salt
CID 87124626
prop-2-enoic acid;hydrochloride
CID 22354205
bis(prop-2-enoic acid);hydrochloride
CID 88811054
cerium;bis(prop-2-enoic acid)
CID 169316659
CID 87061462
CID 87061462
azane;prop-2-enoic acid
CID 173158019
prop-2-enoic acid;hexahydrate
CID 172682107
lutetium;tris(prop-2-enoic acid)
CID 168865611
prop-2-enoic acid;pentahydrobromide
CID 172798031
methanol;prop-2-enoic acid
CID 159043362
potassium;prop-2-enoic acid;hydroxide
CID 23712932
calcium;prop-2-enoic acid;dichloride
CID 172857747

Frequently Asked Questions

What is the IUPAC name of iron(2+);prop-2-enoic acid?
The IUPAC name of iron(2+);prop-2-enoic acid (CID 10290804) is iron(2+);prop-2-enoic acid.
What is the SMILES notation for iron(2+);prop-2-enoic acid?
The canonical SMILES for iron(2+);prop-2-enoic acid is C=CC(=O)O.[Fe+2].
What is the InChIKey of iron(2+);prop-2-enoic acid?
The InChIKey is HOAJOLWWKYYRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.Fe/c1-2-3(4)5;/h2H,1H2,(H,4,5);/q;+2.
What are the key properties of iron(2+);prop-2-enoic acid?
iron(2+);prop-2-enoic acid has a molecular weight of 127.91 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);prop-2-enoic acid is sourced from PubChem (CID 10290804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).