acetic acid;azane;ethene;iron

C10H26FeN2O8 — CID 173116403

IUPACacetic acid;azane;ethene;iron
SMILESC=C.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.N.N.[Fe]
InChIInChI=1S/4C2H4O2.C2H4.Fe.2H3N/c4*1-2(3)4;1-2;;;/h4*1H3,(H,3,4);1-2H2;;2*1H3
InChIKeyLGNCRKKCFUSMJI-UHFFFAOYSA-N
MW358.17 g/mol
LogP1.49
Rot. Bonds

About acetic acid;azane;ethene;iron

acetic acid;azane;ethene;iron (PubChem CID 173116403) has the molecular formula C10H26FeN2O8 and a molecular weight of 358.17 g/mol. Its IUPAC name is acetic acid;azane;ethene;iron.

Molecular Properties

Compound Nameacetic acid;azane;ethene;iron
PubChem CID173116403
Molecular FormulaC10H26FeN2O8
Molecular Weight358.17 g/mol
Exact Mass358.10
IUPAC Nameacetic acid;azane;ethene;iron
SMILESC=C.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.N.N.[Fe]
InChIInChI=1S/4C2H4O2.C2H4.Fe.2H3N/c4*1-2(3)4;1-2;;;/h4*1H3,(H,3,4);1-2H2;;2*1H3
InChIKeyLGNCRKKCFUSMJI-UHFFFAOYSA-N
XLogP1.49
TPSA219.20 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.17
LogP ≤ 51.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 173280365
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Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;ethene;iron?
The IUPAC name of acetic acid;azane;ethene;iron (CID 173116403) is acetic acid;azane;ethene;iron.
What is the SMILES notation for acetic acid;azane;ethene;iron?
The canonical SMILES for acetic acid;azane;ethene;iron is C=C.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.N.N.[Fe].
What is the InChIKey of acetic acid;azane;ethene;iron?
The InChIKey is LGNCRKKCFUSMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C2H4O2.C2H4.Fe.2H3N/c4*1-2(3)4;1-2;;;/h4*1H3,(H,3,4);1-2H2;;2*1H3.
What are the key properties of acetic acid;azane;ethene;iron?
acetic acid;azane;ethene;iron has a molecular weight of 358.17 g/mol, XLogP of 1.49, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azane;ethene;iron is sourced from PubChem (CID 173116403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).