N-cyclohexylidenehydroxylamine;2-methylphenol

C13H19NO2 — CID 87432171

IUPACN-cyclohexylidenehydroxylamine;2-methylphenol
SMILESCc1ccccc1O.ON=C1CCCCC1
InChIInChI=1S/C7H8O.C6H11NO/c1-6-4-2-3-5-7(6)8;8-7-6-4-2-1-3-5-6/h2-5,8H,1H3;8H,1-5H2
InChIKeyQRZKJQNHMLYZKF-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.48
Rot. Bonds

About N-cyclohexylidenehydroxylamine;2-methylphenol

N-cyclohexylidenehydroxylamine;2-methylphenol (PubChem CID 87432171) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-cyclohexylidenehydroxylamine;2-methylphenol.

Molecular Properties

Compound NameN-cyclohexylidenehydroxylamine;2-methylphenol
PubChem CID87432171
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-cyclohexylidenehydroxylamine;2-methylphenol
SMILESCc1ccccc1O.ON=C1CCCCC1
InChIInChI=1S/C7H8O.C6H11NO/c1-6-4-2-3-5-7(6)8;8-7-6-4-2-1-3-5-6/h2-5,8H,1H3;8H,1-5H2
InChIKeyQRZKJQNHMLYZKF-UHFFFAOYSA-N
XLogP3.48
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.48
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 N-cyclohexylidenehydroxylamine;2-methylphenol?
The IUPAC name of N-cyclohexylidenehydroxylamine;2-methylphenol (CID 87432171) is N-cyclohexylidenehydroxylamine;2-methylphenol.
What is the SMILES notation for N-cyclohexylidenehydroxylamine;2-methylphenol?
The canonical SMILES for N-cyclohexylidenehydroxylamine;2-methylphenol is Cc1ccccc1O.ON=C1CCCCC1.
What is the InChIKey of N-cyclohexylidenehydroxylamine;2-methylphenol?
The InChIKey is QRZKJQNHMLYZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C6H11NO/c1-6-4-2-3-5-7(6)8;8-7-6-4-2-1-3-5-6/h2-5,8H,1H3;8H,1-5H2.
What are the key properties of N-cyclohexylidenehydroxylamine;2-methylphenol?
N-cyclohexylidenehydroxylamine;2-methylphenol has a molecular weight of 221.30 g/mol, XLogP of 3.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylidenehydroxylamine;2-methylphenol is sourced from PubChem (CID 87432171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).