N,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium

C7H11NZr — CID 87881044

IUPACN,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium
SMILESCN(C)C1=CC=CC1.[Zr]
InChIInChI=1S/C7H11N.Zr/c1-8(2)7-5-3-4-6-7;/h3-5H,6H2,1-2H3;
InChIKeyPKJMOTOLINYKIN-UHFFFAOYSA-N
MW200.40 g/mol
LogP1.39
Rot. Bonds1

About N,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium

N,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium (PubChem CID 87881044) has the molecular formula C7H11NZr and a molecular weight of 200.40 g/mol. Its IUPAC name is N,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium.

Molecular Properties

Compound NameN,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium
PubChem CID87881044
Molecular FormulaC7H11NZr
Molecular Weight200.40 g/mol
Exact Mass198.99
IUPAC NameN,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium
SMILESCN(C)C1=CC=CC1.[Zr]
InChIInChI=1S/C7H11N.Zr/c1-8(2)7-5-3-4-6-7;/h3-5H,6H2,1-2H3;
InChIKeyPKJMOTOLINYKIN-UHFFFAOYSA-N
XLogP1.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.40
LogP ≤ 51.39
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?
The IUPAC name of N,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium (CID 87881044) is N,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium.
What is the SMILES notation for N,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium?
The canonical SMILES for N,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium is CN(C)C1=CC=CC1.[Zr].
What is the InChIKey of N,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium?
The InChIKey is PKJMOTOLINYKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.Zr/c1-8(2)7-5-3-4-6-7;/h3-5H,6H2,1-2H3;.
What are the key properties of N,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium?
N,N-dimethylcyclopenta-1,3-dien-1-amine;zirconium has a molecular weight of 200.40 g/mol, XLogP of 1.39, 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 is sourced from PubChem (CID 87881044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).