N,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium(2+);dichloride

C7H11Cl2NZr — CID 18761698

IUPACN,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium(2+);dichloride
SMILESCN(C)C1=CC=CC1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C7H11N.2ClH.Zr/c1-8(2)7-5-3-4-6-7;;;/h3-5H,6H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyIARWXPRJHHRJTE-UHFFFAOYSA-L
MW271.30 g/mol
LogP-4.60
Rot. Bonds1

About N,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium(2+);dichloride

N,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium(2+);dichloride (PubChem CID 18761698) has the molecular formula C7H11Cl2NZr and a molecular weight of 271.30 g/mol. Its IUPAC name is N,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium(2+);dichloride.

Molecular Properties

Compound NameN,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium(2+);dichloride
PubChem CID18761698
Molecular FormulaC7H11Cl2NZr
Molecular Weight271.30 g/mol
Exact Mass268.93
IUPAC NameN,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium(2+);dichloride
SMILESCN(C)C1=CC=CC1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C7H11N.2ClH.Zr/c1-8(2)7-5-3-4-6-7;;;/h3-5H,6H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyIARWXPRJHHRJTE-UHFFFAOYSA-L
XLogP-4.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-4.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium(2+);dichloride?
The IUPAC name of N,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium(2+);dichloride (CID 18761698) is N,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium(2+);dichloride.
What is the SMILES notation for N,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium(2+);dichloride?
The canonical SMILES for N,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium(2+);dichloride is CN(C)C1=CC=CC1.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of N,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium(2+);dichloride?
The InChIKey is IARWXPRJHHRJTE-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H11N.2ClH.Zr/c1-8(2)7-5-3-4-6-7;;;/h3-5H,6H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of N,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium(2+);dichloride?
N,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium(2+);dichloride has a molecular weight of 271.30 g/mol, XLogP of -4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium(2+);dichloride is sourced from PubChem (CID 18761698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).