carbanide;chromium(4+);bis(cyclopenta-1,3-diene);chloride

C11H13ClCr — CID 172803177

IUPACcarbanide;chromium(4+);bis(cyclopenta-1,3-diene);chloride
SMILES[CH3-].[Cl-].[Cr+4].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.CH3.ClH.Cr/c2*1-2-4-5-3-1;;;/h2*1-5H;1H3;1H;/q3*-1;;+4/p-1
InChIKeyLXOZELIWEMSSHR-UHFFFAOYSA-M
MW232.67 g/mol
LogP0.26
Rot. Bonds

About carbanide;chromium(4+);bis(cyclopenta-1,3-diene);chloride

carbanide;chromium(4+);bis(cyclopenta-1,3-diene);chloride (PubChem CID 172803177) has the molecular formula C11H13ClCr and a molecular weight of 232.67 g/mol. Its IUPAC name is carbanide;chromium(4+);bis(cyclopenta-1,3-diene);chloride.

Molecular Properties

Compound Namecarbanide;chromium(4+);bis(cyclopenta-1,3-diene);chloride
PubChem CID172803177
Molecular FormulaC11H13ClCr
Molecular Weight232.67 g/mol
Exact Mass232.01
IUPAC Namecarbanide;chromium(4+);bis(cyclopenta-1,3-diene);chloride
SMILES[CH3-].[Cl-].[Cr+4].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.CH3.ClH.Cr/c2*1-2-4-5-3-1;;;/h2*1-5H;1H3;1H;/q3*-1;;+4/p-1
InChIKeyLXOZELIWEMSSHR-UHFFFAOYSA-M
XLogP0.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 50.26
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

carbanide;tris(cyclopenta-1,3-diene);tris(yttrium)
CID 175586700
chromium(4+);bis(cyclopenta-1,3-diene);dichloride
CID 158887640
cyclopenta-1,3-diene;neodymium(3+);dichloride
CID 137481493
carbanide;cyclopenta-1,3-diene;manganese
CID 140917109
carbanide;bis(cyclopenta-1,3-diene);zirconium(4+)
CID 72747194
carbanide;cyclopenta-1,3-diene;iron(3+)
CID 139939973
carbanide;cyclopenta-1,3-diene;platinum(4+)
CID 24941969
cyclopenta-1,3-diene;uranium;pentachloride
CID 163599803
azanide;chromium(4+);bis(cyclopenta-1,3-diene)
CID 175973666
carbanide;bis(cyclopenta-1,3-diene);hydron;zirconium(3+)
CID 175233850
bis(cyclopenta-1,3-diene);zirconium(4+);dichloride;hydrate
CID 172805895
carbanide;cyclopenta-1,3-diene;zirconium(3+);tribromide
CID 160804559

Frequently Asked Questions

What is the IUPAC name of carbanide;chromium(4+);bis(cyclopenta-1,3-diene);chloride?
The IUPAC name of carbanide;chromium(4+);bis(cyclopenta-1,3-diene);chloride (CID 172803177) is carbanide;chromium(4+);bis(cyclopenta-1,3-diene);chloride.
What is the SMILES notation for carbanide;chromium(4+);bis(cyclopenta-1,3-diene);chloride?
The canonical SMILES for carbanide;chromium(4+);bis(cyclopenta-1,3-diene);chloride is [CH3-].[Cl-].[Cr+4].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of carbanide;chromium(4+);bis(cyclopenta-1,3-diene);chloride?
The InChIKey is LXOZELIWEMSSHR-UHFFFAOYSA-M. The full InChI is InChI=1S/2C5H5.CH3.ClH.Cr/c2*1-2-4-5-3-1;;;/h2*1-5H;1H3;1H;/q3*-1;;+4/p-1.
What are the key properties of carbanide;chromium(4+);bis(cyclopenta-1,3-diene);chloride?
carbanide;chromium(4+);bis(cyclopenta-1,3-diene);chloride has a molecular weight of 232.67 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;chromium(4+);bis(cyclopenta-1,3-diene);chloride is sourced from PubChem (CID 172803177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).