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

C15H30N3Zr — CID 159499916

IUPAC3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;ethyl(methyl)azanide;zirconium(3+)
SMILESCC[N-]C.CC[N-]C.C[N-]CCCC1C=CC=C1.[Zr+3]
InChIInChI=1S/C9H14N.2C3H8N.Zr/c1-10-8-4-7-9-5-2-3-6-9;2*1-3-4-2;/h2-3,5-6,9H,4,7-8H2,1H3;2*3H2,1-2H3;/q3*-1;+3
InChIKeyLZGFSECBSCDZPR-UHFFFAOYSA-N
MW343.65 g/mol
LogP4.53
Rot. Bonds6

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

3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;ethyl(methyl)azanide;zirconium(3+) (PubChem CID 159499916) has the molecular formula C15H30N3Zr and a molecular weight of 343.65 g/mol. Its IUPAC name is 3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;ethyl(methyl)azanide;zirconium(3+).

Molecular Properties

Compound Name3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;ethyl(methyl)azanide;zirconium(3+)
PubChem CID159499916
Molecular FormulaC15H30N3Zr
Molecular Weight343.65 g/mol
Exact Mass342.15
IUPAC Name3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;ethyl(methyl)azanide;zirconium(3+)
SMILESCC[N-]C.CC[N-]C.C[N-]CCCC1C=CC=C1.[Zr+3]
InChIInChI=1S/C9H14N.2C3H8N.Zr/c1-10-8-4-7-9-5-2-3-6-9;2*1-3-4-2;/h2-3,5-6,9H,4,7-8H2,1H3;2*3H2,1-2H3;/q3*-1;+3
InChIKeyLZGFSECBSCDZPR-UHFFFAOYSA-N
XLogP4.53
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.65
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;ethyl(methyl)azanide;zirconium(3+)?
The IUPAC name of 3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;ethyl(methyl)azanide;zirconium(3+) (CID 159499916) is 3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;ethyl(methyl)azanide;zirconium(3+).
What is the SMILES notation for 3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;ethyl(methyl)azanide;zirconium(3+)?
The canonical SMILES for 3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;ethyl(methyl)azanide;zirconium(3+) is CC[N-]C.CC[N-]C.C[N-]CCCC1C=CC=C1.[Zr+3].
What is the InChIKey of 3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;ethyl(methyl)azanide;zirconium(3+)?
The InChIKey is LZGFSECBSCDZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N.2C3H8N.Zr/c1-10-8-4-7-9-5-2-3-6-9;2*1-3-4-2;/h2-3,5-6,9H,4,7-8H2,1H3;2*3H2,1-2H3;/q3*-1;+3.
What are the key properties of 3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;ethyl(methyl)azanide;zirconium(3+)?
3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;ethyl(methyl)azanide;zirconium(3+) has a molecular weight of 343.65 g/mol, XLogP of 4.53, 6 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;ethyl(methyl)azanide;zirconium(3+) is sourced from PubChem (CID 159499916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).