nickel;1-pent-1-en-3-ylcyclopenta-1,3-diene

C10H13Ni- — CID 173188545

IUPACnickel;1-pent-1-en-3-ylcyclopenta-1,3-diene
SMILESC=C[C-](CC)C1=CC=CC1.[Ni]
InChIInChI=1S/C10H13.Ni/c1-3-9(4-2)10-7-5-6-8-10;/h3,5-7H,1,4,8H2,2H3;/q-1;
InChIKeyAARJDJMYUKNZPU-UHFFFAOYSA-N
MW191.91 g/mol
LogP3.04
Rot. Bonds3

About nickel;1-pent-1-en-3-ylcyclopenta-1,3-diene

nickel;1-pent-1-en-3-ylcyclopenta-1,3-diene (PubChem CID 173188545) has the molecular formula C10H13Ni- and a molecular weight of 191.91 g/mol. Its IUPAC name is nickel;1-pent-1-en-3-ylcyclopenta-1,3-diene.

Molecular Properties

Compound Namenickel;1-pent-1-en-3-ylcyclopenta-1,3-diene
PubChem CID173188545
Molecular FormulaC10H13Ni-
Molecular Weight191.91 g/mol
Exact Mass191.04
IUPAC Namenickel;1-pent-1-en-3-ylcyclopenta-1,3-diene
SMILESC=C[C-](CC)C1=CC=CC1.[Ni]
InChIInChI=1S/C10H13.Ni/c1-3-9(4-2)10-7-5-6-8-10;/h3,5-7H,1,4,8H2,2H3;/q-1;
InChIKeyAARJDJMYUKNZPU-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.91
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze nickel;1-pent-1-en-3-ylcyclopenta-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;zirconium;hydrochloride
CID 87133400
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;hexa-1,4-diene
CID 174908546
di(cyclopenta-1,3-dien-1-yl)methylbenzene;ethanolate;zirconium(4+)
CID 173327045
1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;hexan-1-ol;titanium;chloride
CID 19973888
1-ethylpyrrole;1-prop-2-enylcyclopenta-1,3-diene
CID 174581949
1-ethylcyclopenta-1,3-diene
CID 528166
CID 173256635
CID 173256635
(2-ethenylcyclohexa-2,4-dien-1-ylidene)methanone
CID 54422716
di(cyclopenta-1,3-dien-1-yl)methylbenzene;hafnium;hydride
CID 173327025
di(cyclopenta-1,3-dien-1-yl)methylbenzene;hydride;zirconium
CID 173021155
di(cyclopenta-1,3-dien-1-yl)methylbenzene;hydride;titanium
CID 173327010
bis(1-ethylcyclopenta-1,3-diene);ruthenium
CID 12730332

Frequently Asked Questions

What is the IUPAC name of nickel;1-pent-1-en-3-ylcyclopenta-1,3-diene?
The IUPAC name of nickel;1-pent-1-en-3-ylcyclopenta-1,3-diene (CID 173188545) is nickel;1-pent-1-en-3-ylcyclopenta-1,3-diene.
What is the SMILES notation for nickel;1-pent-1-en-3-ylcyclopenta-1,3-diene?
The canonical SMILES for nickel;1-pent-1-en-3-ylcyclopenta-1,3-diene is C=C[C-](CC)C1=CC=CC1.[Ni].
What is the InChIKey of nickel;1-pent-1-en-3-ylcyclopenta-1,3-diene?
The InChIKey is AARJDJMYUKNZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13.Ni/c1-3-9(4-2)10-7-5-6-8-10;/h3,5-7H,1,4,8H2,2H3;/q-1;.
What are the key properties of nickel;1-pent-1-en-3-ylcyclopenta-1,3-diene?
nickel;1-pent-1-en-3-ylcyclopenta-1,3-diene has a molecular weight of 191.91 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;1-pent-1-en-3-ylcyclopenta-1,3-diene is sourced from PubChem (CID 173188545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).