(2E)-2-(1-phenylethylidene)-3H-diazet-2-ium-4-olate

C10H10N2O — CID 12869044

IUPAC(2E)-2-(1-phenylethylidene)-3H-diazet-2-ium-4-olate
SMILESC/C(c1ccccc1)=[N+]1/CC([O-])=N1
InChIInChI=1S/C10H10N2O/c1-8(12-7-10(13)11-12)9-5-3-2-4-6-9/h2-6H,7H2,1H3/b12-8+
InChIKeyCGAZKZCPZWAIFY-XYOKQWHBSA-N
MW174.20 g/mol
LogP0.20
Rot. Bonds1

About (2E)-2-(1-phenylethylidene)-3H-diazet-2-ium-4-olate

(2E)-2-(1-phenylethylidene)-3H-diazet-2-ium-4-olate (PubChem CID 12869044) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is (2E)-2-(1-phenylethylidene)-3H-diazet-2-ium-4-olate.

Molecular Properties

Compound Name(2E)-2-(1-phenylethylidene)-3H-diazet-2-ium-4-olate
PubChem CID12869044
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name(2E)-2-(1-phenylethylidene)-3H-diazet-2-ium-4-olate
SMILESC/C(c1ccccc1)=[N+]1/CC([O-])=N1
InChIInChI=1S/C10H10N2O/c1-8(12-7-10(13)11-12)9-5-3-2-4-6-9/h2-6H,7H2,1H3/b12-8+
InChIKeyCGAZKZCPZWAIFY-XYOKQWHBSA-N
XLogP0.20
TPSA38.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Acetophenone, dimethylhydrazone
CID 6172446
(E)-2-Benzylidene-5-oxopyrazolidin-2-ium-1-ide
CID 5919027
2-benzhydrylidene-3H-diazet-2-ium-4-olate
CID 12869026
AC1Nybhi
CID 5875398
Azete, 2,3-dihydro-4-phenyl-
CID 568635
N-Methyl-1-phenylethan-1-imine
CID 576474
2-fluoro-1-phenyl-N-propan-2-ylethanimine
CID 101419520
1-(4-fluorophenyl)-N-propylethanimine
CID 176433693
2,2-dimethyl-4-phenyl-2H-imidazole
CID 12421868
Acetophenone dimethyl hydrazone
CID 26048
acetophenone N-propylimine
CID 2755403
Dimethyl-(1-phenyl-ethylideneamino)-amine
CID 5360427

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1-phenylethylidene)-3H-diazet-2-ium-4-olate?
The IUPAC name of (2E)-2-(1-phenylethylidene)-3H-diazet-2-ium-4-olate (CID 12869044) is (2E)-2-(1-phenylethylidene)-3H-diazet-2-ium-4-olate.
What is the SMILES notation for (2E)-2-(1-phenylethylidene)-3H-diazet-2-ium-4-olate?
The canonical SMILES for (2E)-2-(1-phenylethylidene)-3H-diazet-2-ium-4-olate is C/C(c1ccccc1)=[N+]1/CC([O-])=N1.
What is the InChIKey of (2E)-2-(1-phenylethylidene)-3H-diazet-2-ium-4-olate?
The InChIKey is CGAZKZCPZWAIFY-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H10N2O/c1-8(12-7-10(13)11-12)9-5-3-2-4-6-9/h2-6H,7H2,1H3/b12-8+.
What are the key properties of (2E)-2-(1-phenylethylidene)-3H-diazet-2-ium-4-olate?
(2E)-2-(1-phenylethylidene)-3H-diazet-2-ium-4-olate has a molecular weight of 174.20 g/mol, XLogP of 0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1-phenylethylidene)-3H-diazet-2-ium-4-olate is sourced from PubChem (CID 12869044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).