(E)-hydroxy-[(4-methylphenyl)methylidene]azanium

C8H10NO+ — CID 23278307

IUPAC(E)-hydroxy-[(4-methylphenyl)methylidene]azanium
SMILESCc1ccc(/C=[NH+]/O)cc1
InChIInChI=1S/C8H9NO/c1-7-2-4-8(5-3-7)6-9-10/h2-6,10H,1H3/p+1/b9-6+
InChIKeySRNDYVBEUZSFEZ-RMKNXTFCSA-O
MW136.17 g/mol
LogP-0.12
Rot. Bonds1

About (E)-hydroxy-[(4-methylphenyl)methylidene]azanium

(E)-hydroxy-[(4-methylphenyl)methylidene]azanium (PubChem CID 23278307) has the molecular formula C8H10NO+ and a molecular weight of 136.17 g/mol. Its IUPAC name is (E)-hydroxy-[(4-methylphenyl)methylidene]azanium.

Molecular Properties

Compound Name(E)-hydroxy-[(4-methylphenyl)methylidene]azanium
PubChem CID23278307
Molecular FormulaC8H10NO+
Molecular Weight136.17 g/mol
Exact Mass136.08
IUPAC Name(E)-hydroxy-[(4-methylphenyl)methylidene]azanium
SMILESCc1ccc(/C=[NH+]/O)cc1
InChIInChI=1S/C8H9NO/c1-7-2-4-8(5-3-7)6-9-10/h2-6,10H,1H3/p+1/b9-6+
InChIKeySRNDYVBEUZSFEZ-RMKNXTFCSA-O
XLogP-0.12
TPSA34.20 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(diaminomethylideneamino)-[(4-methylphenyl)methylidene]azanium
CID 172510521
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
trimethyl-[2-(4-methylphenyl)-1-trimethylsilylethenyl]silane
CID 14784450
1-(2,2-difluoroethenyl)-4-methylbenzene
CID 6424286
(4-methylphenyl)methylidenezirconium(2+)
CID 87122877
ethane;methanol;1,4-xylene
CID 171074418
2-(4-methylphenyl)-1-phosphanylethenol
CID 142187482
1-ethenyl-4-methylbenzene;methane
CID 142136023
CID 174976037
CID 174976037
1,4-bis[3-(4-methylphenyl)propa-1,2-dienyl]benzene
CID 10592855
N-methyl-1-(4-methylphenyl)methanimine
CID 11208221

Frequently Asked Questions

What is the IUPAC name of (E)-hydroxy-[(4-methylphenyl)methylidene]azanium?
The IUPAC name of (E)-hydroxy-[(4-methylphenyl)methylidene]azanium (CID 23278307) is (E)-hydroxy-[(4-methylphenyl)methylidene]azanium.
What is the SMILES notation for (E)-hydroxy-[(4-methylphenyl)methylidene]azanium?
The canonical SMILES for (E)-hydroxy-[(4-methylphenyl)methylidene]azanium is Cc1ccc(/C=[NH+]/O)cc1.
What is the InChIKey of (E)-hydroxy-[(4-methylphenyl)methylidene]azanium?
The InChIKey is SRNDYVBEUZSFEZ-RMKNXTFCSA-O. The full InChI is InChI=1S/C8H9NO/c1-7-2-4-8(5-3-7)6-9-10/h2-6,10H,1H3/p+1/b9-6+.
What are the key properties of (E)-hydroxy-[(4-methylphenyl)methylidene]azanium?
(E)-hydroxy-[(4-methylphenyl)methylidene]azanium has a molecular weight of 136.17 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hydroxy-[(4-methylphenyl)methylidene]azanium is sourced from PubChem (CID 23278307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).