benzene;cyclopenta-1,3-diene;manganese

C11H11Mn- — CID 67644722

IUPACbenzene;cyclopenta-1,3-diene;manganese
SMILES[C-]1=CC=CC1.[Mn].c1ccccc1
InChIInChI=1S/C6H6.C5H5.Mn/c1-2-4-6-5-3-1;1-2-4-5-3-1;/h1-6H;1-3H,4H2;/q;-1;
InChIKeyWLNSPRCMADWIAF-UHFFFAOYSA-N
MW198.15 g/mol
LogP2.99
Rot. Bonds

About benzene;cyclopenta-1,3-diene;manganese

benzene;cyclopenta-1,3-diene;manganese (PubChem CID 67644722) has the molecular formula C11H11Mn- and a molecular weight of 198.15 g/mol. Its IUPAC name is benzene;cyclopenta-1,3-diene;manganese.

Molecular Properties

Compound Namebenzene;cyclopenta-1,3-diene;manganese
PubChem CID67644722
Molecular FormulaC11H11Mn-
Molecular Weight198.15 g/mol
Exact Mass198.02
IUPAC Namebenzene;cyclopenta-1,3-diene;manganese
SMILES[C-]1=CC=CC1.[Mn].c1ccccc1
InChIInChI=1S/C6H6.C5H5.Mn/c1-2-4-6-5-3-1;1-2-4-5-3-1;/h1-6H;1-3H,4H2;/q;-1;
InChIKeyWLNSPRCMADWIAF-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.15
LogP ≤ 52.99
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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Related Compounds

benzene;cyclopenta-1,3-diene;titanium;dihydrochloride
CID 174656990
cyclopenta-1,3-diene;zirconium(4+)
CID 22421333
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
cyclopenta-1,3-diene;iridium(3+)
CID 19920890
cesium cyclopenta-1,3-diene
CID 18362255
strontium bis(cyclopenta-1,3-diene)
CID 14513562
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260
carbanide;cyclopenta-1,3-diene;osmium(2+)
CID 140608310
tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride
CID 22239884
cyclopenta-1,3-diene;zirconium;trihydrofluoride
CID 173031456
carbanide;cyclopenta-1,3-diene;zinc
CID 173150447
zinc;carbanide;cyclopenta-1,3-diene
CID 23116545

Frequently Asked Questions

What is the IUPAC name of benzene;cyclopenta-1,3-diene;manganese?
The IUPAC name of benzene;cyclopenta-1,3-diene;manganese (CID 67644722) is benzene;cyclopenta-1,3-diene;manganese.
What is the SMILES notation for benzene;cyclopenta-1,3-diene;manganese?
The canonical SMILES for benzene;cyclopenta-1,3-diene;manganese is [C-]1=CC=CC1.[Mn].c1ccccc1.
What is the InChIKey of benzene;cyclopenta-1,3-diene;manganese?
The InChIKey is WLNSPRCMADWIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H5.Mn/c1-2-4-6-5-3-1;1-2-4-5-3-1;/h1-6H;1-3H,4H2;/q;-1;.
What are the key properties of benzene;cyclopenta-1,3-diene;manganese?
benzene;cyclopenta-1,3-diene;manganese has a molecular weight of 198.15 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;cyclopenta-1,3-diene;manganese is sourced from PubChem (CID 67644722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).