3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;bis(diethylazanide);zirconium(3+)

C17H34N3Zr — CID 159962344

IUPAC3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;bis(diethylazanide);zirconium(3+)
SMILESCC[N-]CC.CC[N-]CC.C[N-]CCCC1C=CC=C1.[Zr+3]
InChIInChI=1S/C9H14N.2C4H10N.Zr/c1-10-8-4-7-9-5-2-3-6-9;2*1-3-5-4-2;/h2-3,5-6,9H,4,7-8H2,1H3;2*3-4H2,1-2H3;/q3*-1;+3
InChIKeyODMLIFWKJSNSHF-UHFFFAOYSA-N
MW371.70 g/mol
LogP5.31
Rot. Bonds8

About 3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;bis(diethylazanide);zirconium(3+)

3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;bis(diethylazanide);zirconium(3+) (PubChem CID 159962344) has the molecular formula C17H34N3Zr and a molecular weight of 371.70 g/mol. Its IUPAC name is 3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;bis(diethylazanide);zirconium(3+).

Molecular Properties

Compound Name3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;bis(diethylazanide);zirconium(3+)
PubChem CID159962344
Molecular FormulaC17H34N3Zr
Molecular Weight371.70 g/mol
Exact Mass370.18
IUPAC Name3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;bis(diethylazanide);zirconium(3+)
SMILESCC[N-]CC.CC[N-]CC.C[N-]CCCC1C=CC=C1.[Zr+3]
InChIInChI=1S/C9H14N.2C4H10N.Zr/c1-10-8-4-7-9-5-2-3-6-9;2*1-3-5-4-2;/h2-3,5-6,9H,4,7-8H2,1H3;2*3-4H2,1-2H3;/q3*-1;+3
InChIKeyODMLIFWKJSNSHF-UHFFFAOYSA-N
XLogP5.31
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.70
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;bis(diethylazanide);zirconium(3+) with MolForge

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Related Compounds

3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;ethyl(methyl)azanide;zirconium(3+)
CID 159499916
3-cyclopenta-2,4-dien-1-ylpropan-1-ol;bis(diethylazanide);hafnium
CID 158586112
5-undecylcyclopenta-1,3-diene
CID 141280590
pentakis(cyclopenta-2,4-dien-1-ylmethyl(ethyl)azanide);tantalum(5+)
CID 175931567
bis(diethylazanide);bis(dimethylazanide);zirconium(4+)
CID 18432248
6-pentylcyclodeca-2,4,7,9-tetraen-1-one
CID 91465318
5-(4-methylpentyl)cyclopenta-1,3-diene
CID 157130017
(1R,6R)-6-butylcycloocta-2,4,7-trien-1-ol
CID 71416520
carbanide;diethylazanide;zirconium(3+)
CID 152590022
3,6-dibutylcyclohexa-1,4-diene
CID 90992302
6-cyclopenta-2,4-dien-1-ylhexanoic acid
CID 12645352
dichloro-(3-cyclopenta-2,4-dien-1-ylpropyl)-methylsilane
CID 123407802

Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;bis(diethylazanide);zirconium(3+)?
The IUPAC name of 3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;bis(diethylazanide);zirconium(3+) (CID 159962344) is 3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;bis(diethylazanide);zirconium(3+).
What is the SMILES notation for 3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;bis(diethylazanide);zirconium(3+)?
The canonical SMILES for 3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;bis(diethylazanide);zirconium(3+) is CC[N-]CC.CC[N-]CC.C[N-]CCCC1C=CC=C1.[Zr+3].
What is the InChIKey of 3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;bis(diethylazanide);zirconium(3+)?
The InChIKey is ODMLIFWKJSNSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N.2C4H10N.Zr/c1-10-8-4-7-9-5-2-3-6-9;2*1-3-5-4-2;/h2-3,5-6,9H,4,7-8H2,1H3;2*3-4H2,1-2H3;/q3*-1;+3.
What are the key properties of 3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;bis(diethylazanide);zirconium(3+)?
3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;bis(diethylazanide);zirconium(3+) has a molecular weight of 371.70 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;bis(diethylazanide);zirconium(3+) is sourced from PubChem (CID 159962344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).