cyclopenta-1,3-dien-1-ylazanide

C5H5N-2 — CID 15802369

IUPACcyclopenta-1,3-dien-1-ylazanide
SMILES[NH-]c1ccc[cH-]1
InChIInChI=1S/C5H5N/c6-5-3-1-2-4-5/h1-4,6H/q-2
InChIKeyZHUIKZCDLZGKJG-UHFFFAOYSA-N
MW79.10 g/mol
LogP2.09
Rot. Bonds

About cyclopenta-1,3-dien-1-ylazanide

cyclopenta-1,3-dien-1-ylazanide (PubChem CID 15802369) has the molecular formula C5H5N-2 and a molecular weight of 79.10 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-ylazanide.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-ylazanide
PubChem CID15802369
Molecular FormulaC5H5N-2
Molecular Weight79.10 g/mol
Exact Mass79.04
IUPAC Namecyclopenta-1,3-dien-1-ylazanide
SMILES[NH-]c1ccc[cH-]1
InChIInChI=1S/C5H5N/c6-5-3-1-2-4-5/h1-4,6H/q-2
InChIKeyZHUIKZCDLZGKJG-UHFFFAOYSA-N
XLogP2.09
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50079.10
LogP ≤ 52.09
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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Related Compounds

chromium(2+);bis(1-methylcyclopenta-1,3-diene)
CID 160665189
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bis(1-iodocyclopenta-1,3-diene);ruthenium(2+)
CID 158276340
bis(1-methylcyclopenta-1,3-diene);zirconium(2+)
CID 131719615
bis(1-ethylcyclopenta-1,3-diene);titanium(2+)
CID 172701358
N-cyclopenta-1,3-dien-1-yl-N-phenylaniline
CID 12826867
cobalt;tris(cyclopenta-1,3-diene);1-methylcyclopenta-1,3-diene
CID 158473034
1-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene
CID 135031993
1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron
CID 57369550
carbon monoxide;hydride;1-methylcyclopenta-1,3-diene;tungsten(2+)
CID 134694826
1-(1,2,2-trideuterioethenyl)cyclopenta-1,3-diene
CID 154710056
bis(cyclopenta-1,3-dien-1-ylmethylbenzene);iron(2+)
CID 517163

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-ylazanide?
The IUPAC name of cyclopenta-1,3-dien-1-ylazanide (CID 15802369) is cyclopenta-1,3-dien-1-ylazanide.
What is the SMILES notation for cyclopenta-1,3-dien-1-ylazanide?
The canonical SMILES for cyclopenta-1,3-dien-1-ylazanide is [NH-]c1ccc[cH-]1.
What is the InChIKey of cyclopenta-1,3-dien-1-ylazanide?
The InChIKey is ZHUIKZCDLZGKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N/c6-5-3-1-2-4-5/h1-4,6H/q-2.
What are the key properties of cyclopenta-1,3-dien-1-ylazanide?
cyclopenta-1,3-dien-1-ylazanide has a molecular weight of 79.10 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-ylazanide is sourced from PubChem (CID 15802369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).