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

C13H15NO3 — CID 135616913

IUPAC[(E)-(4-hydroxyphenyl)methylideneamino] cyclopentanecarboxylate
SMILESO=C(O/N=C/c1ccc(O)cc1)C1CCCC1
InChIInChI=1S/C13H15NO3/c15-12-7-5-10(6-8-12)9-14-17-13(16)11-3-1-2-4-11/h5-9,11,15H,1-4H2/b14-9+
InChIKeyZCFPLYLBKJXQPY-NTEUORMPSA-N
MW233.27 g/mol
LogP2.46
Rot. Bonds3

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

[(E)-(4-hydroxyphenyl)methylideneamino] cyclopentanecarboxylate (PubChem CID 135616913) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is [(E)-(4-hydroxyphenyl)methylideneamino] cyclopentanecarboxylate.

Molecular Properties

Compound Name[(E)-(4-hydroxyphenyl)methylideneamino] cyclopentanecarboxylate
PubChem CID135616913
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name[(E)-(4-hydroxyphenyl)methylideneamino] cyclopentanecarboxylate
SMILESO=C(O/N=C/c1ccc(O)cc1)C1CCCC1
InChIInChI=1S/C13H15NO3/c15-12-7-5-10(6-8-12)9-14-17-13(16)11-3-1-2-4-11/h5-9,11,15H,1-4H2/b14-9+
InChIKeyZCFPLYLBKJXQPY-NTEUORMPSA-N
XLogP2.46
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.46
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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Related Compounds

4-Hydroxybenzaldehyde oxime
CID 135408704
(Z)-(4-hydroxyphenyl)acetaldehyde oxime
CID 5459810
[(E)-(4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate
CID 135616914
4-Hydroxybenzaldehyde O-(3,3-dimethylbutanoyl)oxime
CID 135908260
(2Z)-2-(hydroxyimino)-3-(4-hydroxyphenyl)propanoic acid
CID 14389744
4-Hydroxyphenylacetaldoxime
CID 5460411
3-[(~{E})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid
CID 155289227
3-Fluoro-4-hydroxybenzaldehyde O-(cyclohexylcarbonyl)oxime
CID 135566317
(4E)-4-(4-hydroxybenzylidene)-3-methyl-1,2-oxazol-5(4H)-one
CID 135460617
4-hydroxybenzaldehyde O-benzoyloxime
CID 135572086
Benzaldehyde, 4-hydroxy-, oxime
CID 219130
4-Hydroxybenzaldehyde O-(cyclohexylcarbonyl)oxime
CID 135566316

Frequently Asked Questions

What is the IUPAC name of [(E)-(4-hydroxyphenyl)methylideneamino] cyclopentanecarboxylate?
The IUPAC name of [(E)-(4-hydroxyphenyl)methylideneamino] cyclopentanecarboxylate (CID 135616913) is [(E)-(4-hydroxyphenyl)methylideneamino] cyclopentanecarboxylate.
What is the SMILES notation for [(E)-(4-hydroxyphenyl)methylideneamino] cyclopentanecarboxylate?
The canonical SMILES for [(E)-(4-hydroxyphenyl)methylideneamino] cyclopentanecarboxylate is O=C(O/N=C/c1ccc(O)cc1)C1CCCC1.
What is the InChIKey of [(E)-(4-hydroxyphenyl)methylideneamino] cyclopentanecarboxylate?
The InChIKey is ZCFPLYLBKJXQPY-NTEUORMPSA-N. The full InChI is InChI=1S/C13H15NO3/c15-12-7-5-10(6-8-12)9-14-17-13(16)11-3-1-2-4-11/h5-9,11,15H,1-4H2/b14-9+.
What are the key properties of [(E)-(4-hydroxyphenyl)methylideneamino] cyclopentanecarboxylate?
[(E)-(4-hydroxyphenyl)methylideneamino] cyclopentanecarboxylate has a molecular weight of 233.27 g/mol, XLogP of 2.46, 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] cyclopentanecarboxylate is sourced from PubChem (CID 135616913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).