1-(2,4-dihydroxy-3-methylphenyl)ethylideneazanium

C9H12NO2+ — CID 147141238

IUPAC1-(2,4-dihydroxy-3-methylphenyl)ethylideneazanium
SMILESCC(=[NH2+])c1ccc(O)c(C)c1O
InChIInChI=1S/C9H11NO2/c1-5-8(11)4-3-7(6(2)10)9(5)12/h3-4,10-12H,1-2H3/p+1
InChIKeyBSDVCOXNPRPENZ-UHFFFAOYSA-O
MW166.20 g/mol
LogP-0.03
Rot. Bonds1

About 1-(2,4-dihydroxy-3-methylphenyl)ethylideneazanium

1-(2,4-dihydroxy-3-methylphenyl)ethylideneazanium (PubChem CID 147141238) has the molecular formula C9H12NO2+ and a molecular weight of 166.20 g/mol. Its IUPAC name is 1-(2,4-dihydroxy-3-methylphenyl)ethylideneazanium.

Molecular Properties

Compound Name1-(2,4-dihydroxy-3-methylphenyl)ethylideneazanium
PubChem CID147141238
Molecular FormulaC9H12NO2+
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name1-(2,4-dihydroxy-3-methylphenyl)ethylideneazanium
SMILESCC(=[NH2+])c1ccc(O)c(C)c1O
InChIInChI=1S/C9H11NO2/c1-5-8(11)4-3-7(6(2)10)9(5)12/h3-4,10-12H,1-2H3/p+1
InChIKeyBSDVCOXNPRPENZ-UHFFFAOYSA-O
XLogP-0.03
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxy-3-methylphenyl)ethylideneazanium?
The IUPAC name of 1-(2,4-dihydroxy-3-methylphenyl)ethylideneazanium (CID 147141238) is 1-(2,4-dihydroxy-3-methylphenyl)ethylideneazanium.
What is the SMILES notation for 1-(2,4-dihydroxy-3-methylphenyl)ethylideneazanium?
The canonical SMILES for 1-(2,4-dihydroxy-3-methylphenyl)ethylideneazanium is CC(=[NH2+])c1ccc(O)c(C)c1O.
What is the InChIKey of 1-(2,4-dihydroxy-3-methylphenyl)ethylideneazanium?
The InChIKey is BSDVCOXNPRPENZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H11NO2/c1-5-8(11)4-3-7(6(2)10)9(5)12/h3-4,10-12H,1-2H3/p+1.
What are the key properties of 1-(2,4-dihydroxy-3-methylphenyl)ethylideneazanium?
1-(2,4-dihydroxy-3-methylphenyl)ethylideneazanium has a molecular weight of 166.20 g/mol, XLogP of -0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxy-3-methylphenyl)ethylideneazanium is sourced from PubChem (CID 147141238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).