chromium;2-methylcyclopenta-1,3-diene

C6H7Cr- — CID 173304853

IUPACchromium;2-methylcyclopenta-1,3-diene
SMILESCC1=[C-]CC=C1.[Cr]
InChIInChI=1S/C6H7.Cr/c1-6-4-2-3-5-6;/h2,4H,3H2,1H3;/q-1;
InChIKeyCZUMNLWWRWRVMU-UHFFFAOYSA-N
MW131.12 g/mol
LogP1.69
Rot. Bonds

About chromium;2-methylcyclopenta-1,3-diene

chromium;2-methylcyclopenta-1,3-diene (PubChem CID 173304853) has the molecular formula C6H7Cr- and a molecular weight of 131.12 g/mol. Its IUPAC name is chromium;2-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Namechromium;2-methylcyclopenta-1,3-diene
PubChem CID173304853
Molecular FormulaC6H7Cr-
Molecular Weight131.12 g/mol
Exact Mass131.00
IUPAC Namechromium;2-methylcyclopenta-1,3-diene
SMILESCC1=[C-]CC=C1.[Cr]
InChIInChI=1S/C6H7.Cr/c1-6-4-2-3-5-6;/h2,4H,3H2,1H3;/q-1;
InChIKeyCZUMNLWWRWRVMU-UHFFFAOYSA-N
XLogP1.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.12
LogP ≤ 51.69
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

hafnium;2-methylcyclopenta-1,3-diene
CID 173074070
2-methylcyclopenta-1,3-diene;scandium
CID 174626316
manganese;2-methylcyclopenta-1,3-diene
CID 67103355
carbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+)
CID 21256036
carbanide;2-methylcyclopenta-1,3-diene;zirconium(4+)
CID 22670313
bis(2-methylcyclopenta-1,3-diene);zirconium(2+);chloride
CID 22619663
manganese(2+);2-methylcyclopenta-1,3-diene;chloride
CID 23039190
hydride;bis(2-methylcyclopenta-1,3-diene);tantalum(2+)
CID 173032575
methane;bis(2-methylcyclopenta-1,3-diene);zirconium(2+)
CID 22027318
bis(2-methylcyclopenta-1,3-diene);zirconium;trihydrobromide;trihydrochloride
CID 175124905
carbanide;2-methylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 174253848
ethane;hafnium;2-methylcyclopenta-1,3-diene;hydrochloride
CID 174356034

Frequently Asked Questions

What is the IUPAC name of chromium;2-methylcyclopenta-1,3-diene?
The IUPAC name of chromium;2-methylcyclopenta-1,3-diene (CID 173304853) is chromium;2-methylcyclopenta-1,3-diene.
What is the SMILES notation for chromium;2-methylcyclopenta-1,3-diene?
The canonical SMILES for chromium;2-methylcyclopenta-1,3-diene is CC1=[C-]CC=C1.[Cr].
What is the InChIKey of chromium;2-methylcyclopenta-1,3-diene?
The InChIKey is CZUMNLWWRWRVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7.Cr/c1-6-4-2-3-5-6;/h2,4H,3H2,1H3;/q-1;.
What are the key properties of chromium;2-methylcyclopenta-1,3-diene?
chromium;2-methylcyclopenta-1,3-diene has a molecular weight of 131.12 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;2-methylcyclopenta-1,3-diene is sourced from PubChem (CID 173304853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).