2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)cyclohexan-1-ol

C15H20N2O2 — CID 77033802

IUPAC2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)cyclohexan-1-ol
SMILESON=C1CCN(C2CCCCC2O)c2ccccc21
InChIInChI=1S/C15H20N2O2/c18-15-8-4-3-7-14(15)17-10-9-12(16-19)11-5-1-2-6-13(11)17/h1-2,5-6,14-15,18-19H,3-4,7-10H2
InChIKeyDAHGEUMACHTSHX-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.38
Rot. Bonds1

About 2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)cyclohexan-1-ol

2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)cyclohexan-1-ol (PubChem CID 77033802) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)cyclohexan-1-ol
PubChem CID77033802
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)cyclohexan-1-ol
SMILESON=C1CCN(C2CCCCC2O)c2ccccc21
InChIInChI=1S/C15H20N2O2/c18-15-8-4-3-7-14(15)17-10-9-12(16-19)11-5-1-2-6-13(11)17/h1-2,5-6,14-15,18-19H,3-4,7-10H2
InChIKeyDAHGEUMACHTSHX-UHFFFAOYSA-N
XLogP2.38
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)cyclohexan-1-ol?
The IUPAC name of 2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)cyclohexan-1-ol (CID 77033802) is 2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)cyclohexan-1-ol is ON=C1CCN(C2CCCCC2O)c2ccccc21.
What is the InChIKey of 2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)cyclohexan-1-ol?
The InChIKey is DAHGEUMACHTSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15-8-4-3-7-14(15)17-10-9-12(16-19)11-5-1-2-6-13(11)17/h1-2,5-6,14-15,18-19H,3-4,7-10H2.
What are the key properties of 2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)cyclohexan-1-ol?
2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)cyclohexan-1-ol has a molecular weight of 260.34 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 77033802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).