3-[(5Z)-2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl]phenol

C16H19NO2 — CID 143236764

IUPAC3-[(5Z)-2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl]phenol
SMILESO/N=C1/CCC(C2CCCC2)=C1c1cccc(O)c1
InChIInChI=1S/C16H19NO2/c18-13-7-3-6-12(10-13)16-14(8-9-15(16)17-19)11-4-1-2-5-11/h3,6-7,10-11,18-19H,1-2,4-5,8-9H2/b17-15-
InChIKeyUECJANHGUXLQNS-ICFOKQHNSA-N
MW257.33 g/mol
LogP3.96
Rot. Bonds2

About 3-[(5Z)-2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl]phenol

3-[(5Z)-2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl]phenol (PubChem CID 143236764) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[(5Z)-2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl]phenol.

Molecular Properties

Compound Name3-[(5Z)-2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl]phenol
PubChem CID143236764
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-[(5Z)-2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl]phenol
SMILESO/N=C1/CCC(C2CCCC2)=C1c1cccc(O)c1
InChIInChI=1S/C16H19NO2/c18-13-7-3-6-12(10-13)16-14(8-9-15(16)17-19)11-4-1-2-5-11/h3,6-7,10-11,18-19H,1-2,4-5,8-9H2/b17-15-
InChIKeyUECJANHGUXLQNS-ICFOKQHNSA-N
XLogP3.96
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 3-[(5Z)-2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl]phenol?
The IUPAC name of 3-[(5Z)-2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl]phenol (CID 143236764) is 3-[(5Z)-2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl]phenol.
What is the SMILES notation for 3-[(5Z)-2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl]phenol?
The canonical SMILES for 3-[(5Z)-2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl]phenol is O/N=C1/CCC(C2CCCC2)=C1c1cccc(O)c1.
What is the InChIKey of 3-[(5Z)-2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl]phenol?
The InChIKey is UECJANHGUXLQNS-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H19NO2/c18-13-7-3-6-12(10-13)16-14(8-9-15(16)17-19)11-4-1-2-5-11/h3,6-7,10-11,18-19H,1-2,4-5,8-9H2/b17-15-.
What are the key properties of 3-[(5Z)-2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl]phenol?
3-[(5Z)-2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl]phenol has a molecular weight of 257.33 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5Z)-2-cyclopentyl-5-hydroxyiminocyclopenten-1-yl]phenol is sourced from PubChem (CID 143236764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).