CID 174693028

C6H6AuN — CID 174693028

IUPAC—
SMILESC1=CC=N[CH-]C=C1.[Au+]
InChIInChI=1S/C6H6N.Au/c1-2-4-6-7-5-3-1;/h1-6H;/q-1;+1
InChIKeyBPSNZRVQNVVADE-UHFFFAOYSA-N
MW289.09 g/mol
LogP1.34
Rot. Bonds

About CID 174693028

CID 174693028 (PubChem CID 174693028) has the molecular formula C6H6AuN and a molecular weight of 289.09 g/mol.

Molecular Properties

Compound NameCID 174693028
PubChem CID174693028
Molecular FormulaC6H6AuN
Molecular Weight289.09 g/mol
Exact Mass289.02
IUPAC Name—
SMILESC1=CC=N[CH-]C=C1.[Au+]
InChIInChI=1S/C6H6N.Au/c1-2-4-6-7-5-3-1;/h1-6H;/q-1;+1
InChIKeyBPSNZRVQNVVADE-UHFFFAOYSA-N
XLogP1.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.09
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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sorbaldehyde N-allylimine
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4-fluoro-2H-azepine
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2,2-Difluoroazepine
CID 174903955
gold(1+);2H-pyridin-2-ide
CID 16156884
1-methyl-2H-azepin-1-ium
CID 22153550
N-methylhexa-2,4-dien-1-imine
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Frequently Asked Questions

What is the IUPAC name of CID 174693028?
The IUPAC name of CID 174693028 (CID 174693028) is not available.
What is the SMILES notation for CID 174693028?
The canonical SMILES for CID 174693028 is C1=CC=N[CH-]C=C1.[Au+].
What is the InChIKey of CID 174693028?
The InChIKey is BPSNZRVQNVVADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N.Au/c1-2-4-6-7-5-3-1;/h1-6H;/q-1;+1.
What are the key properties of CID 174693028?
CID 174693028 has a molecular weight of 289.09 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174693028 is sourced from PubChem (CID 174693028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).