(4-iminocyclohexa-2,5-dien-1-ylidene)azanide

C6H5N2- — CID 23594381

IUPAC(4-iminocyclohexa-2,5-dien-1-ylidene)azanide
SMILES[H]N=C1C=CC(=[N-])C=C1
InChIInChI=1S/C6H5N2/c7-5-1-2-6(8)4-3-5/h1-4,7H/q-1
InChIKeyHWPQWCPUKDLOOQ-UHFFFAOYSA-N
MW105.12 g/mol
LogP1.14
Rot. Bonds

About (4-iminocyclohexa-2,5-dien-1-ylidene)azanide

(4-iminocyclohexa-2,5-dien-1-ylidene)azanide (PubChem CID 23594381) has the molecular formula C6H5N2- and a molecular weight of 105.12 g/mol. Its IUPAC name is (4-iminocyclohexa-2,5-dien-1-ylidene)azanide.

Molecular Properties

Compound Name(4-iminocyclohexa-2,5-dien-1-ylidene)azanide
PubChem CID23594381
Molecular FormulaC6H5N2-
Molecular Weight105.12 g/mol
Exact Mass105.05
IUPAC Name(4-iminocyclohexa-2,5-dien-1-ylidene)azanide
SMILES[H]N=C1C=CC(=[N-])C=C1
InChIInChI=1S/C6H5N2/c7-5-1-2-6(8)4-3-5/h1-4,7H/q-1
InChIKeyHWPQWCPUKDLOOQ-UHFFFAOYSA-N
XLogP1.14
TPSA46.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.12
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-iminocyclohexa-2,5-dien-1-ylidene)azanide?
The IUPAC name of (4-iminocyclohexa-2,5-dien-1-ylidene)azanide (CID 23594381) is (4-iminocyclohexa-2,5-dien-1-ylidene)azanide.
What is the SMILES notation for (4-iminocyclohexa-2,5-dien-1-ylidene)azanide?
The canonical SMILES for (4-iminocyclohexa-2,5-dien-1-ylidene)azanide is [H]N=C1C=CC(=[N-])C=C1.
What is the InChIKey of (4-iminocyclohexa-2,5-dien-1-ylidene)azanide?
The InChIKey is HWPQWCPUKDLOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N2/c7-5-1-2-6(8)4-3-5/h1-4,7H/q-1.
What are the key properties of (4-iminocyclohexa-2,5-dien-1-ylidene)azanide?
(4-iminocyclohexa-2,5-dien-1-ylidene)azanide has a molecular weight of 105.12 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iminocyclohexa-2,5-dien-1-ylidene)azanide is sourced from PubChem (CID 23594381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).