[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-trimethylazanium

C10H15N2O2+ — CID 135485458

IUPAC[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-trimethylazanium
SMILESC[N+](C)(C)/N=C\c1ccc(O)c(O)c1
InChIInChI=1S/C10H14N2O2/c1-12(2,3)11-7-8-4-5-9(13)10(14)6-8/h4-7H,1-3H3,(H-,11,13,14)/p+1
InChIKeyDDIPCSIALILULA-UHFFFAOYSA-O
MW195.24 g/mol
LogP1.14
Rot. Bonds2

About [(Z)-(3,4-dihydroxyphenyl)methylideneamino]-trimethylazanium

[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-trimethylazanium (PubChem CID 135485458) has the molecular formula C10H15N2O2+ and a molecular weight of 195.24 g/mol. Its IUPAC name is [(Z)-(3,4-dihydroxyphenyl)methylideneamino]-trimethylazanium.

Molecular Properties

Compound Name[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-trimethylazanium
PubChem CID135485458
Molecular FormulaC10H15N2O2+
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-trimethylazanium
SMILESC[N+](C)(C)/N=C\c1ccc(O)c(O)c1
InChIInChI=1S/C10H14N2O2/c1-12(2,3)11-7-8-4-5-9(13)10(14)6-8/h4-7H,1-3H3,(H-,11,13,14)/p+1
InChIKeyDDIPCSIALILULA-UHFFFAOYSA-O
XLogP1.14
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-trimethylazanium iodide
CID 135534535
4-[(E)-(methylhydrazinylidene)methyl]benzene-1,2-diol
CID 136786728
4-[(E)-methoxyiminomethyl]benzene-1,2-diol
CID 135443391
4-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,2-diol
CID 136786732
4-[(E)-2-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,2-diol
CID 71680339
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide;hydrate
CID 139076968
1-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-methylguanidine
CID 166950262
4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,2-diol
CID 780515
4-(pyrimidin-2-yliminomethyl)benzene-1,2-diol
CID 3473364
4-[[(3,4-dihydroxyphenyl)methylidenehydrazinylidene]methyl]-3,6-dimethylbenzene-1,2-diol
CID 136651369
[(3,4-dihydroxyphenyl)methylideneamino]thiourea
CID 681134
4-[(Z)-piperidin-1-yliminomethyl]benzene-1,2-diol
CID 136915095

Frequently Asked Questions

What is the IUPAC name of [(Z)-(3,4-dihydroxyphenyl)methylideneamino]-trimethylazanium?
The IUPAC name of [(Z)-(3,4-dihydroxyphenyl)methylideneamino]-trimethylazanium (CID 135485458) is [(Z)-(3,4-dihydroxyphenyl)methylideneamino]-trimethylazanium.
What is the SMILES notation for [(Z)-(3,4-dihydroxyphenyl)methylideneamino]-trimethylazanium?
The canonical SMILES for [(Z)-(3,4-dihydroxyphenyl)methylideneamino]-trimethylazanium is C[N+](C)(C)/N=C\c1ccc(O)c(O)c1.
What is the InChIKey of [(Z)-(3,4-dihydroxyphenyl)methylideneamino]-trimethylazanium?
The InChIKey is DDIPCSIALILULA-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14N2O2/c1-12(2,3)11-7-8-4-5-9(13)10(14)6-8/h4-7H,1-3H3,(H-,11,13,14)/p+1.
What are the key properties of [(Z)-(3,4-dihydroxyphenyl)methylideneamino]-trimethylazanium?
[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-trimethylazanium has a molecular weight of 195.24 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(3,4-dihydroxyphenyl)methylideneamino]-trimethylazanium is sourced from PubChem (CID 135485458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).