(Z)-2-isocyano-2-(4-methylphenyl)ethenol

C10H9NO — CID 21049963

IUPAC(Z)-2-isocyano-2-(4-methylphenyl)ethenol
SMILES[C-]#[N+]/C(=C\O)c1ccc(C)cc1
InChIInChI=1S/C10H9NO/c1-8-3-5-9(6-4-8)10(7-12)11-2/h3-7,12H,1H3/b10-7-
InChIKeyGXDYOEYLRJMAEQ-YFHOEESVSA-N
MW159.19 g/mol
LogP2.77
Rot. Bonds1

About (Z)-2-isocyano-2-(4-methylphenyl)ethenol

(Z)-2-isocyano-2-(4-methylphenyl)ethenol (PubChem CID 21049963) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is (Z)-2-isocyano-2-(4-methylphenyl)ethenol.

Molecular Properties

Compound Name(Z)-2-isocyano-2-(4-methylphenyl)ethenol
PubChem CID21049963
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name(Z)-2-isocyano-2-(4-methylphenyl)ethenol
SMILES[C-]#[N+]/C(=C\O)c1ccc(C)cc1
InChIInChI=1S/C10H9NO/c1-8-3-5-9(6-4-8)10(7-12)11-2/h3-7,12H,1H3/b10-7-
InChIKeyGXDYOEYLRJMAEQ-YFHOEESVSA-N
XLogP2.77
TPSA24.59 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-isocyano-2-(4-methylphenyl)ethenol?
The IUPAC name of (Z)-2-isocyano-2-(4-methylphenyl)ethenol (CID 21049963) is (Z)-2-isocyano-2-(4-methylphenyl)ethenol.
What is the SMILES notation for (Z)-2-isocyano-2-(4-methylphenyl)ethenol?
The canonical SMILES for (Z)-2-isocyano-2-(4-methylphenyl)ethenol is [C-]#[N+]/C(=C\O)c1ccc(C)cc1.
What is the InChIKey of (Z)-2-isocyano-2-(4-methylphenyl)ethenol?
The InChIKey is GXDYOEYLRJMAEQ-YFHOEESVSA-N. The full InChI is InChI=1S/C10H9NO/c1-8-3-5-9(6-4-8)10(7-12)11-2/h3-7,12H,1H3/b10-7-.
What are the key properties of (Z)-2-isocyano-2-(4-methylphenyl)ethenol?
(Z)-2-isocyano-2-(4-methylphenyl)ethenol has a molecular weight of 159.19 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-isocyano-2-(4-methylphenyl)ethenol is sourced from PubChem (CID 21049963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).