cyclopenta-1,3-dien-1-ylmethyliminovanadium(2+) dichloride

C6H7Cl2NV — CID 87968242

IUPACcyclopenta-1,3-dien-1-ylmethyliminovanadium(2+) dichloride
SMILES[Cl-].[Cl-].[V+2]=NCC1=CC=CC1
InChIInChI=1S/C6H7N.2ClH.V/c7-5-6-3-1-2-4-6;;;/h1-3H,4-5H2;2*1H;/q;;;+2/p-2
InChIKeyMVHTXOCWDVPQOO-UHFFFAOYSA-L
MW214.98 g/mol
LogP-4.39
Rot. Bonds2

About cyclopenta-1,3-dien-1-ylmethyliminovanadium(2+) dichloride

cyclopenta-1,3-dien-1-ylmethyliminovanadium(2+) dichloride (PubChem CID 87968242) has the molecular formula C6H7Cl2NV and a molecular weight of 214.98 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-ylmethyliminovanadium(2+) dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-ylmethyliminovanadium(2+) dichloride
PubChem CID87968242
Molecular FormulaC6H7Cl2NV
Molecular Weight214.98 g/mol
Exact Mass213.94
IUPAC Namecyclopenta-1,3-dien-1-ylmethyliminovanadium(2+) dichloride
SMILES[Cl-].[Cl-].[V+2]=NCC1=CC=CC1
InChIInChI=1S/C6H7N.2ClH.V/c7-5-6-3-1-2-4-6;;;/h1-3H,4-5H2;2*1H;/q;;;+2/p-2
InChIKeyMVHTXOCWDVPQOO-UHFFFAOYSA-L
XLogP-4.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.98
LogP ≤ 5-4.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-ylmethyliminovanadium(2+) dichloride?
The IUPAC name of cyclopenta-1,3-dien-1-ylmethyliminovanadium(2+) dichloride (CID 87968242) is cyclopenta-1,3-dien-1-ylmethyliminovanadium(2+) dichloride.
What is the SMILES notation for cyclopenta-1,3-dien-1-ylmethyliminovanadium(2+) dichloride?
The canonical SMILES for cyclopenta-1,3-dien-1-ylmethyliminovanadium(2+) dichloride is [Cl-].[Cl-].[V+2]=NCC1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-dien-1-ylmethyliminovanadium(2+) dichloride?
The InChIKey is MVHTXOCWDVPQOO-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H7N.2ClH.V/c7-5-6-3-1-2-4-6;;;/h1-3H,4-5H2;2*1H;/q;;;+2/p-2.
What are the key properties of cyclopenta-1,3-dien-1-ylmethyliminovanadium(2+) dichloride?
cyclopenta-1,3-dien-1-ylmethyliminovanadium(2+) dichloride has a molecular weight of 214.98 g/mol, XLogP of -4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-ylmethyliminovanadium(2+) dichloride is sourced from PubChem (CID 87968242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).