carbon monoxide;cyclopenta-1,3-diene;iron;manganese(2+);methyl prop-2-enoate

C15H10FeMnO8 — CID 139264486

IUPACcarbon monoxide;cyclopenta-1,3-diene;iron;manganese(2+);methyl prop-2-enoate
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH-]=CC(=O)OC.[Fe].[Mn+2].c1cc[cH-]c1
InChIInChI=1S/C5H5.C4H5O2.6CO.Fe.Mn/c1-2-4-5-3-1;1-3-4(5)6-2;6*1-2;;/h1-5H;1,3H,2H3;;;;;;;;/q2*-1;;;;;;;;+2
InChIKeyXCBRGQQCSZMEGP-UHFFFAOYSA-N
MW429.02 g/mol
LogP1.32
Rot. Bonds1

About carbon monoxide;cyclopenta-1,3-diene;iron;manganese(2+);methyl prop-2-enoate

carbon monoxide;cyclopenta-1,3-diene;iron;manganese(2+);methyl prop-2-enoate (PubChem CID 139264486) has the molecular formula C15H10FeMnO8 and a molecular weight of 429.02 g/mol. Its IUPAC name is carbon monoxide;cyclopenta-1,3-diene;iron;manganese(2+);methyl prop-2-enoate.

Molecular Properties

Compound Namecarbon monoxide;cyclopenta-1,3-diene;iron;manganese(2+);methyl prop-2-enoate
PubChem CID139264486
Molecular FormulaC15H10FeMnO8
Molecular Weight429.02 g/mol
Exact Mass428.91
IUPAC Namecarbon monoxide;cyclopenta-1,3-diene;iron;manganese(2+);methyl prop-2-enoate
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH-]=CC(=O)OC.[Fe].[Mn+2].c1cc[cH-]c1
InChIInChI=1S/C5H5.C4H5O2.6CO.Fe.Mn/c1-2-4-5-3-1;1-3-4(5)6-2;6*1-2;;/h1-5H;1,3H,2H3;;;;;;;;/q2*-1;;;;;;;;+2
InChIKeyXCBRGQQCSZMEGP-UHFFFAOYSA-N
XLogP1.32
TPSA145.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.02
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 88780603
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CID 87899124
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CID 174897686
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CID 175527231
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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cyclopenta-1,3-diene;iron;manganese(2+);methyl prop-2-enoate?
The IUPAC name of carbon monoxide;cyclopenta-1,3-diene;iron;manganese(2+);methyl prop-2-enoate (CID 139264486) is carbon monoxide;cyclopenta-1,3-diene;iron;manganese(2+);methyl prop-2-enoate.
What is the SMILES notation for carbon monoxide;cyclopenta-1,3-diene;iron;manganese(2+);methyl prop-2-enoate?
The canonical SMILES for carbon monoxide;cyclopenta-1,3-diene;iron;manganese(2+);methyl prop-2-enoate is [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH-]=CC(=O)OC.[Fe].[Mn+2].c1cc[cH-]c1.
What is the InChIKey of carbon monoxide;cyclopenta-1,3-diene;iron;manganese(2+);methyl prop-2-enoate?
The InChIKey is XCBRGQQCSZMEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C4H5O2.6CO.Fe.Mn/c1-2-4-5-3-1;1-3-4(5)6-2;6*1-2;;/h1-5H;1,3H,2H3;;;;;;;;/q2*-1;;;;;;;;+2.
What are the key properties of carbon monoxide;cyclopenta-1,3-diene;iron;manganese(2+);methyl prop-2-enoate?
carbon monoxide;cyclopenta-1,3-diene;iron;manganese(2+);methyl prop-2-enoate has a molecular weight of 429.02 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cyclopenta-1,3-diene;iron;manganese(2+);methyl prop-2-enoate is sourced from PubChem (CID 139264486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).