(2Z)-2-[(2Z,4E,6E,8E,10E)-11-phenylundeca-2,4,6,8,10-pentaenylidene]-3,4-dihydropyrazol-2-ium-5-olate

C20H20N2O — CID 134925659

IUPAC(2Z)-2-[(2Z,4E,6E,8E,10E)-11-phenylundeca-2,4,6,8,10-pentaenylidene]-3,4-dihydropyrazol-2-ium-5-olate
SMILES[O-]C1=N/[N+](=C\C=C/C=C/C=C/C=C/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H20N2O/c23-20-16-18-22(21-20)17-12-7-5-3-1-2-4-6-9-13-19-14-10-8-11-15-19/h1-15,17H,16,18H2/b2-1+,5-3+,6-4+,12-7-,13-9+,22-17-
InChIKeyYSKAOXCBUNEFFN-RODBAJGFSA-N
MW304.39 g/mol
LogP3.09
Rot. Bonds6

About (2Z)-2-[(2Z,4E,6E,8E,10E)-11-phenylundeca-2,4,6,8,10-pentaenylidene]-3,4-dihydropyrazol-2-ium-5-olate

(2Z)-2-[(2Z,4E,6E,8E,10E)-11-phenylundeca-2,4,6,8,10-pentaenylidene]-3,4-dihydropyrazol-2-ium-5-olate (PubChem CID 134925659) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is (2Z)-2-[(2Z,4E,6E,8E,10E)-11-phenylundeca-2,4,6,8,10-pentaenylidene]-3,4-dihydropyrazol-2-ium-5-olate.

Molecular Properties

Compound Name(2Z)-2-[(2Z,4E,6E,8E,10E)-11-phenylundeca-2,4,6,8,10-pentaenylidene]-3,4-dihydropyrazol-2-ium-5-olate
PubChem CID134925659
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name(2Z)-2-[(2Z,4E,6E,8E,10E)-11-phenylundeca-2,4,6,8,10-pentaenylidene]-3,4-dihydropyrazol-2-ium-5-olate
SMILES[O-]C1=N/[N+](=C\C=C/C=C/C=C/C=C/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H20N2O/c23-20-16-18-22(21-20)17-12-7-5-3-1-2-4-6-9-13-19-14-10-8-11-15-19/h1-15,17H,16,18H2/b2-1+,5-3+,6-4+,12-7-,13-9+,22-17-
InChIKeyYSKAOXCBUNEFFN-RODBAJGFSA-N
XLogP3.09
TPSA38.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z)-2-[(2Z,4E,6E,8E,10E)-11-phenylundeca-2,4,6,8,10-pentaenylidene]-3,4-dihydropyrazol-2-ium-5-olate with MolForge

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Launch Full Analysis

Related Compounds

(E)-2-Benzylidene-5-oxopyrazolidin-2-ium-1-ide
CID 5919027
(2E)-1,1-Dimethyl-2-[(2E)-3-phenylprop-2-en-1-ylidene]hydrazine
CID 9614267
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
trimethyl-[(E)-[(E)-3-phenylprop-2-enylidene]amino]azanium
CID 9573592
(2E)-1,1-dimethyl-2-(3-phenylpropylidene)hydrazine
CID 10419716
(1Z)-1-benzylidene-5,5-dimethyl-4H-pyrazol-1-ium-3-olate
CID 11206463
(Z)-2-benzylidene-5-oxopyrazolidin-2-ium-1-ide
CID 11401051

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2Z,4E,6E,8E,10E)-11-phenylundeca-2,4,6,8,10-pentaenylidene]-3,4-dihydropyrazol-2-ium-5-olate?
The IUPAC name of (2Z)-2-[(2Z,4E,6E,8E,10E)-11-phenylundeca-2,4,6,8,10-pentaenylidene]-3,4-dihydropyrazol-2-ium-5-olate (CID 134925659) is (2Z)-2-[(2Z,4E,6E,8E,10E)-11-phenylundeca-2,4,6,8,10-pentaenylidene]-3,4-dihydropyrazol-2-ium-5-olate.
What is the SMILES notation for (2Z)-2-[(2Z,4E,6E,8E,10E)-11-phenylundeca-2,4,6,8,10-pentaenylidene]-3,4-dihydropyrazol-2-ium-5-olate?
The canonical SMILES for (2Z)-2-[(2Z,4E,6E,8E,10E)-11-phenylundeca-2,4,6,8,10-pentaenylidene]-3,4-dihydropyrazol-2-ium-5-olate is [O-]C1=N/[N+](=C\C=C/C=C/C=C/C=C/C=C/c2ccccc2)CC1.
What is the InChIKey of (2Z)-2-[(2Z,4E,6E,8E,10E)-11-phenylundeca-2,4,6,8,10-pentaenylidene]-3,4-dihydropyrazol-2-ium-5-olate?
The InChIKey is YSKAOXCBUNEFFN-RODBAJGFSA-N. The full InChI is InChI=1S/C20H20N2O/c23-20-16-18-22(21-20)17-12-7-5-3-1-2-4-6-9-13-19-14-10-8-11-15-19/h1-15,17H,16,18H2/b2-1+,5-3+,6-4+,12-7-,13-9+,22-17-.
What are the key properties of (2Z)-2-[(2Z,4E,6E,8E,10E)-11-phenylundeca-2,4,6,8,10-pentaenylidene]-3,4-dihydropyrazol-2-ium-5-olate?
(2Z)-2-[(2Z,4E,6E,8E,10E)-11-phenylundeca-2,4,6,8,10-pentaenylidene]-3,4-dihydropyrazol-2-ium-5-olate has a molecular weight of 304.39 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2Z,4E,6E,8E,10E)-11-phenylundeca-2,4,6,8,10-pentaenylidene]-3,4-dihydropyrazol-2-ium-5-olate is sourced from PubChem (CID 134925659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).