2-[(2-hydroxy-5-methylanilino)methylidene]-6-methylcyclohexan-1-one

C15H19NO2 — CID 4292613

IUPAC2-[(2-hydroxy-5-methylanilino)methylidene]-6-methylcyclohexan-1-one
SMILESCc1ccc(O)c(NC=C2CCCC(C)C2=O)c1
InChIInChI=1S/C15H19NO2/c1-10-6-7-14(17)13(8-10)16-9-12-5-3-4-11(2)15(12)18/h6-9,11,16-17H,3-5H2,1-2H3
InChIKeyNUYAXTQSGPHRCQ-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.39
Rot. Bonds2

About 2-[(2-hydroxy-5-methylanilino)methylidene]-6-methylcyclohexan-1-one

2-[(2-hydroxy-5-methylanilino)methylidene]-6-methylcyclohexan-1-one (PubChem CID 4292613) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[(2-hydroxy-5-methylanilino)methylidene]-6-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(2-hydroxy-5-methylanilino)methylidene]-6-methylcyclohexan-1-one
PubChem CID4292613
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[(2-hydroxy-5-methylanilino)methylidene]-6-methylcyclohexan-1-one
SMILESCc1ccc(O)c(NC=C2CCCC(C)C2=O)c1
InChIInChI=1S/C15H19NO2/c1-10-6-7-14(17)13(8-10)16-9-12-5-3-4-11(2)15(12)18/h6-9,11,16-17H,3-5H2,1-2H3
InChIKeyNUYAXTQSGPHRCQ-UHFFFAOYSA-N
XLogP3.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-5-methylanilino)methylidene]-6-methylcyclohexan-1-one?
The IUPAC name of 2-[(2-hydroxy-5-methylanilino)methylidene]-6-methylcyclohexan-1-one (CID 4292613) is 2-[(2-hydroxy-5-methylanilino)methylidene]-6-methylcyclohexan-1-one.
What is the SMILES notation for 2-[(2-hydroxy-5-methylanilino)methylidene]-6-methylcyclohexan-1-one?
The canonical SMILES for 2-[(2-hydroxy-5-methylanilino)methylidene]-6-methylcyclohexan-1-one is Cc1ccc(O)c(NC=C2CCCC(C)C2=O)c1.
What is the InChIKey of 2-[(2-hydroxy-5-methylanilino)methylidene]-6-methylcyclohexan-1-one?
The InChIKey is NUYAXTQSGPHRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10-6-7-14(17)13(8-10)16-9-12-5-3-4-11(2)15(12)18/h6-9,11,16-17H,3-5H2,1-2H3.
What are the key properties of 2-[(2-hydroxy-5-methylanilino)methylidene]-6-methylcyclohexan-1-one?
2-[(2-hydroxy-5-methylanilino)methylidene]-6-methylcyclohexan-1-one has a molecular weight of 245.32 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-5-methylanilino)methylidene]-6-methylcyclohexan-1-one is sourced from PubChem (CID 4292613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).