1,3-dimethylbenzene-2-ide;iron

C8H9Fe- — CID 175995533

IUPAC1,3-dimethylbenzene-2-ide;iron
SMILESCc1[c-]c(C)ccc1.[Fe]
InChIInChI=1S/C8H9.Fe/c1-7-4-3-5-8(2)6-7;/h3-5H,1-2H3;/q-1;
InChIKeyOIDSIBOPPMTZPI-UHFFFAOYSA-N
MW161.00 g/mol
LogP2.10
Rot. Bonds

About 1,3-dimethylbenzene-2-ide;iron

1,3-dimethylbenzene-2-ide;iron (PubChem CID 175995533) has the molecular formula C8H9Fe- and a molecular weight of 161.00 g/mol. Its IUPAC name is 1,3-dimethylbenzene-2-ide;iron.

Molecular Properties

Compound Name1,3-dimethylbenzene-2-ide;iron
PubChem CID175995533
Molecular FormulaC8H9Fe-
Molecular Weight161.00 g/mol
Exact Mass161.01
IUPAC Name1,3-dimethylbenzene-2-ide;iron
SMILESCc1[c-]c(C)ccc1.[Fe]
InChIInChI=1S/C8H9.Fe/c1-7-4-3-5-8(2)6-7;/h3-5H,1-2H3;/q-1;
InChIKeyOIDSIBOPPMTZPI-UHFFFAOYSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.00
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylbenzene-2-ide;iron?
The IUPAC name of 1,3-dimethylbenzene-2-ide;iron (CID 175995533) is 1,3-dimethylbenzene-2-ide;iron.
What is the SMILES notation for 1,3-dimethylbenzene-2-ide;iron?
The canonical SMILES for 1,3-dimethylbenzene-2-ide;iron is Cc1[c-]c(C)ccc1.[Fe].
What is the InChIKey of 1,3-dimethylbenzene-2-ide;iron?
The InChIKey is OIDSIBOPPMTZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9.Fe/c1-7-4-3-5-8(2)6-7;/h3-5H,1-2H3;/q-1;.
What are the key properties of 1,3-dimethylbenzene-2-ide;iron?
1,3-dimethylbenzene-2-ide;iron has a molecular weight of 161.00 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylbenzene-2-ide;iron is sourced from PubChem (CID 175995533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).