[(E)-(4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate

C14H17NO3 — CID 135616914

IUPAC[(E)-(4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate
SMILESO=C(O/N=C/c1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C14H17NO3/c16-13-8-6-11(7-9-13)10-15-18-14(17)12-4-2-1-3-5-12/h6-10,12,16H,1-5H2/b15-10+
InChIKeyYWZBYSBZDQWXGQ-XNTDXEJSSA-N
MW247.29 g/mol
LogP2.85
Rot. Bonds3

About [(E)-(4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate

[(E)-(4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate (PubChem CID 135616914) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is [(E)-(4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate.

Molecular Properties

Compound Name[(E)-(4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate
PubChem CID135616914
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name[(E)-(4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate
SMILESO=C(O/N=C/c1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C14H17NO3/c16-13-8-6-11(7-9-13)10-15-18-14(17)12-4-2-1-3-5-12/h6-10,12,16H,1-5H2/b15-10+
InChIKeyYWZBYSBZDQWXGQ-XNTDXEJSSA-N
XLogP2.85
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-(4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate?
The IUPAC name of [(E)-(4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate (CID 135616914) is [(E)-(4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate.
What is the SMILES notation for [(E)-(4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate?
The canonical SMILES for [(E)-(4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate is O=C(O/N=C/c1ccc(O)cc1)C1CCCCC1.
What is the InChIKey of [(E)-(4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate?
The InChIKey is YWZBYSBZDQWXGQ-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H17NO3/c16-13-8-6-11(7-9-13)10-15-18-14(17)12-4-2-1-3-5-12/h6-10,12,16H,1-5H2/b15-10+.
What are the key properties of [(E)-(4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate?
[(E)-(4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate has a molecular weight of 247.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate is sourced from PubChem (CID 135616914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).