(2Z)-2-[(2-methylphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate

C11H12N2O — CID 154723278

IUPAC(2Z)-2-[(2-methylphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
SMILESCc1ccccc1/C=[N+]1/CCC([O-])=N1
InChIInChI=1S/C11H12N2O/c1-9-4-2-3-5-10(9)8-13-7-6-11(14)12-13/h2-5,8H,6-7H2,1H3/b13-8-
InChIKeyKZPOKUKQNGPADB-JYRVWZFOSA-N
MW188.23 g/mol
LogP0.50
Rot. Bonds1

About (2Z)-2-[(2-methylphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate

(2Z)-2-[(2-methylphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate (PubChem CID 154723278) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (2Z)-2-[(2-methylphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate.

Molecular Properties

Compound Name(2Z)-2-[(2-methylphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
PubChem CID154723278
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(2Z)-2-[(2-methylphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
SMILESCc1ccccc1/C=[N+]1/CCC([O-])=N1
InChIInChI=1S/C11H12N2O/c1-9-4-2-3-5-10(9)8-13-7-6-11(14)12-13/h2-5,8H,6-7H2,1H3/b13-8-
InChIKeyKZPOKUKQNGPADB-JYRVWZFOSA-N
XLogP0.50
TPSA38.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.50
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

(E)-2-Benzylidene-5-oxopyrazolidin-2-ium-1-ide
CID 5919027
5H-2,3-Benzodiazepine
CID 12868192
AC1Nybhi
CID 5875398
(2Z)-2-[(2-fluorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
CID 11148217
(2Z)-2-[(4-fluorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
CID 11974384
(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]-3,4-dihydropyrazol-2-ium-5-olate
CID 12080113
(Z)-5-Oxo-2-(3-(trifluoromethyl)benzylidene)pyrazolidin-2-ium-1-ide
CID 134894873
(1Z)-1-[(4-fluorophenyl)methylidene]-5,5-dimethyl-4H-pyrazol-1-ium-3-olate
CID 135083789
(E)-N-Methyl-1-(2-methylphenyl)methanimine
CID 12451890
Diazoxylol
CID 12764492
1-(2-methylphenyl)-N-prop-2-enylmethanimine
CID 59412399
N-methyl-1-[2-(methyliminomethyl)phenyl]methanimine
CID 60012395

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2-methylphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate?
The IUPAC name of (2Z)-2-[(2-methylphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate (CID 154723278) is (2Z)-2-[(2-methylphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate.
What is the SMILES notation for (2Z)-2-[(2-methylphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate?
The canonical SMILES for (2Z)-2-[(2-methylphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate is Cc1ccccc1/C=[N+]1/CCC([O-])=N1.
What is the InChIKey of (2Z)-2-[(2-methylphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate?
The InChIKey is KZPOKUKQNGPADB-JYRVWZFOSA-N. The full InChI is InChI=1S/C11H12N2O/c1-9-4-2-3-5-10(9)8-13-7-6-11(14)12-13/h2-5,8H,6-7H2,1H3/b13-8-.
What are the key properties of (2Z)-2-[(2-methylphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate?
(2Z)-2-[(2-methylphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate has a molecular weight of 188.23 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2-methylphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate is sourced from PubChem (CID 154723278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).