chromium(2+);1,3-dimethylcyclopenta-1,3-diene;8H-quinolin-8-ide;dihydrochloride

C16H17Cl2CrN — CID 87547751

IUPACchromium(2+);1,3-dimethylcyclopenta-1,3-diene;8H-quinolin-8-ide;dihydrochloride
SMILESCC1=[C-]CC(C)=C1.Cl.Cl.[Cr+2].[c-]1cccc2cccnc12
InChIInChI=1S/C9H6N.C7H9.2ClH.Cr/c1-2-6-9-8(4-1)5-3-7-10-9;1-6-3-4-7(2)5-6;;;/h1-5,7H;5H,3H2,1-2H3;2*1H;/q2*-1;;;+2
InChIKeyCFRJDNWMGLLEON-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.96
Rot. Bonds

About chromium(2+);1,3-dimethylcyclopenta-1,3-diene;8H-quinolin-8-ide;dihydrochloride

chromium(2+);1,3-dimethylcyclopenta-1,3-diene;8H-quinolin-8-ide;dihydrochloride (PubChem CID 87547751) has the molecular formula C16H17Cl2CrN and a molecular weight of 346.22 g/mol. Its IUPAC name is chromium(2+);1,3-dimethylcyclopenta-1,3-diene;8H-quinolin-8-ide;dihydrochloride.

Molecular Properties

Compound Namechromium(2+);1,3-dimethylcyclopenta-1,3-diene;8H-quinolin-8-ide;dihydrochloride
PubChem CID87547751
Molecular FormulaC16H17Cl2CrN
Molecular Weight346.22 g/mol
Exact Mass345.01
IUPAC Namechromium(2+);1,3-dimethylcyclopenta-1,3-diene;8H-quinolin-8-ide;dihydrochloride
SMILESCC1=[C-]CC(C)=C1.Cl.Cl.[Cr+2].[c-]1cccc2cccnc12
InChIInChI=1S/C9H6N.C7H9.2ClH.Cr/c1-2-6-9-8(4-1)5-3-7-10-9;1-6-3-4-7(2)5-6;;;/h1-5,7H;5H,3H2,1-2H3;2*1H;/q2*-1;;;+2
InChIKeyCFRJDNWMGLLEON-UHFFFAOYSA-N
XLogP4.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze chromium(2+);1,3-dimethylcyclopenta-1,3-diene;8H-quinolin-8-ide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chromium(2+);1,3-dimethylcyclopenta-1,3-diene;8H-quinolin-8-ide;dihydrochloride?
The IUPAC name of chromium(2+);1,3-dimethylcyclopenta-1,3-diene;8H-quinolin-8-ide;dihydrochloride (CID 87547751) is chromium(2+);1,3-dimethylcyclopenta-1,3-diene;8H-quinolin-8-ide;dihydrochloride.
What is the SMILES notation for chromium(2+);1,3-dimethylcyclopenta-1,3-diene;8H-quinolin-8-ide;dihydrochloride?
The canonical SMILES for chromium(2+);1,3-dimethylcyclopenta-1,3-diene;8H-quinolin-8-ide;dihydrochloride is CC1=[C-]CC(C)=C1.Cl.Cl.[Cr+2].[c-]1cccc2cccnc12.
What is the InChIKey of chromium(2+);1,3-dimethylcyclopenta-1,3-diene;8H-quinolin-8-ide;dihydrochloride?
The InChIKey is CFRJDNWMGLLEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N.C7H9.2ClH.Cr/c1-2-6-9-8(4-1)5-3-7-10-9;1-6-3-4-7(2)5-6;;;/h1-5,7H;5H,3H2,1-2H3;2*1H;/q2*-1;;;+2.
What are the key properties of chromium(2+);1,3-dimethylcyclopenta-1,3-diene;8H-quinolin-8-ide;dihydrochloride?
chromium(2+);1,3-dimethylcyclopenta-1,3-diene;8H-quinolin-8-ide;dihydrochloride has a molecular weight of 346.22 g/mol, XLogP of 4.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(2+);1,3-dimethylcyclopenta-1,3-diene;8H-quinolin-8-ide;dihydrochloride is sourced from PubChem (CID 87547751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).