cyclopenta-1,3-diene;bis(diethylazanide);vanadium

C13H25N2V-3 — CID 18781806

IUPACcyclopenta-1,3-diene;bis(diethylazanide);vanadium
SMILESCC[N-]CC.CC[N-]CC.[C-]1=CC=CC1.[V]
InChIInChI=1S/C5H5.2C4H10N.V/c1-2-4-5-3-1;2*1-3-5-4-2;/h1-3H,4H2;2*3-4H2,1-2H3;/q3*-1;
InChIKeyLXSXMFLZZRAHJB-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.10
Rot. Bonds4

About cyclopenta-1,3-diene;bis(diethylazanide);vanadium

cyclopenta-1,3-diene;bis(diethylazanide);vanadium (PubChem CID 18781806) has the molecular formula C13H25N2V-3 and a molecular weight of 260.30 g/mol. Its IUPAC name is cyclopenta-1,3-diene;bis(diethylazanide);vanadium.

Molecular Properties

Compound Namecyclopenta-1,3-diene;bis(diethylazanide);vanadium
PubChem CID18781806
Molecular FormulaC13H25N2V-3
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Namecyclopenta-1,3-diene;bis(diethylazanide);vanadium
SMILESCC[N-]CC.CC[N-]CC.[C-]1=CC=CC1.[V]
InChIInChI=1S/C5H5.2C4H10N.V/c1-2-4-5-3-1;2*1-3-5-4-2;/h1-3H,4H2;2*3-4H2,1-2H3;/q3*-1;
InChIKeyLXSXMFLZZRAHJB-UHFFFAOYSA-N
XLogP4.10
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;bis(diethylazanide);vanadium?
The IUPAC name of cyclopenta-1,3-diene;bis(diethylazanide);vanadium (CID 18781806) is cyclopenta-1,3-diene;bis(diethylazanide);vanadium.
What is the SMILES notation for cyclopenta-1,3-diene;bis(diethylazanide);vanadium?
The canonical SMILES for cyclopenta-1,3-diene;bis(diethylazanide);vanadium is CC[N-]CC.CC[N-]CC.[C-]1=CC=CC1.[V].
What is the InChIKey of cyclopenta-1,3-diene;bis(diethylazanide);vanadium?
The InChIKey is LXSXMFLZZRAHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.2C4H10N.V/c1-2-4-5-3-1;2*1-3-5-4-2;/h1-3H,4H2;2*3-4H2,1-2H3;/q3*-1;.
What are the key properties of cyclopenta-1,3-diene;bis(diethylazanide);vanadium?
cyclopenta-1,3-diene;bis(diethylazanide);vanadium has a molecular weight of 260.30 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;bis(diethylazanide);vanadium is sourced from PubChem (CID 18781806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).