cyclohexa-2,5-dien-1-ylideneazanide

C6H5N — CID 11228763

IUPACcyclohexa-2,5-dien-1-ylideneazanide
SMILES[N-]=C1C=C[CH+]C=C1
InChIInChI=1S/C6H5N/c7-6-4-2-1-3-5-6/h1-5H
InChIKeyGTVARPBALKFJJR-UHFFFAOYSA-N
MW91.11 g/mol
LogP1.33
Rot. Bonds

About cyclohexa-2,5-dien-1-ylideneazanide

cyclohexa-2,5-dien-1-ylideneazanide (PubChem CID 11228763) has the molecular formula C6H5N and a molecular weight of 91.11 g/mol. Its IUPAC name is cyclohexa-2,5-dien-1-ylideneazanide.

Molecular Properties

Compound Namecyclohexa-2,5-dien-1-ylideneazanide
PubChem CID11228763
Molecular FormulaC6H5N
Molecular Weight91.11 g/mol
Exact Mass91.04
IUPAC Namecyclohexa-2,5-dien-1-ylideneazanide
SMILES[N-]=C1C=C[CH+]C=C1
InChIInChI=1S/C6H5N/c7-6-4-2-1-3-5-6/h1-5H
InChIKeyGTVARPBALKFJJR-UHFFFAOYSA-N
XLogP1.33
TPSA22.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.11
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,5-dien-1-ylideneazanide?
The IUPAC name of cyclohexa-2,5-dien-1-ylideneazanide (CID 11228763) is cyclohexa-2,5-dien-1-ylideneazanide.
What is the SMILES notation for cyclohexa-2,5-dien-1-ylideneazanide?
The canonical SMILES for cyclohexa-2,5-dien-1-ylideneazanide is [N-]=C1C=C[CH+]C=C1.
What is the InChIKey of cyclohexa-2,5-dien-1-ylideneazanide?
The InChIKey is GTVARPBALKFJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N/c7-6-4-2-1-3-5-6/h1-5H.
What are the key properties of cyclohexa-2,5-dien-1-ylideneazanide?
cyclohexa-2,5-dien-1-ylideneazanide has a molecular weight of 91.11 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,5-dien-1-ylideneazanide is sourced from PubChem (CID 11228763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).