manganese(2+);2-methylcyclopenta-1,3-diene;chloride

C6H7ClMn — CID 23039190

IUPACmanganese(2+);2-methylcyclopenta-1,3-diene;chloride
SMILESCC1=[C-]CC=C1.[Cl-].[Mn+2]
InChIInChI=1S/C6H7.ClH.Mn/c1-6-4-2-3-5-6;;/h2,4H,3H2,1H3;1H;/q-1;;+2/p-1
InChIKeyYWFKUJFDZYAEIG-UHFFFAOYSA-M
MW169.51 g/mol
LogP-1.30
Rot. Bonds

About manganese(2+);2-methylcyclopenta-1,3-diene;chloride

manganese(2+);2-methylcyclopenta-1,3-diene;chloride (PubChem CID 23039190) has the molecular formula C6H7ClMn and a molecular weight of 169.51 g/mol. Its IUPAC name is manganese(2+);2-methylcyclopenta-1,3-diene;chloride.

Molecular Properties

Compound Namemanganese(2+);2-methylcyclopenta-1,3-diene;chloride
PubChem CID23039190
Molecular FormulaC6H7ClMn
Molecular Weight169.51 g/mol
Exact Mass168.96
IUPAC Namemanganese(2+);2-methylcyclopenta-1,3-diene;chloride
SMILESCC1=[C-]CC=C1.[Cl-].[Mn+2]
InChIInChI=1S/C6H7.ClH.Mn/c1-6-4-2-3-5-6;;/h2,4H,3H2,1H3;1H;/q-1;;+2/p-1
InChIKeyYWFKUJFDZYAEIG-UHFFFAOYSA-M
XLogP-1.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.51
LogP ≤ 5-1.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of manganese(2+);2-methylcyclopenta-1,3-diene;chloride?
The IUPAC name of manganese(2+);2-methylcyclopenta-1,3-diene;chloride (CID 23039190) is manganese(2+);2-methylcyclopenta-1,3-diene;chloride.
What is the SMILES notation for manganese(2+);2-methylcyclopenta-1,3-diene;chloride?
The canonical SMILES for manganese(2+);2-methylcyclopenta-1,3-diene;chloride is CC1=[C-]CC=C1.[Cl-].[Mn+2].
What is the InChIKey of manganese(2+);2-methylcyclopenta-1,3-diene;chloride?
The InChIKey is YWFKUJFDZYAEIG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7.ClH.Mn/c1-6-4-2-3-5-6;;/h2,4H,3H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of manganese(2+);2-methylcyclopenta-1,3-diene;chloride?
manganese(2+);2-methylcyclopenta-1,3-diene;chloride has a molecular weight of 169.51 g/mol, XLogP of -1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);2-methylcyclopenta-1,3-diene;chloride is sourced from PubChem (CID 23039190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).