N-[(2-nonoxyphenyl)methylidene]hydroxylamine

C16H25NO2 — CID 87365234

IUPACN-[(2-nonoxyphenyl)methylidene]hydroxylamine
SMILESCCCCCCCCCOc1ccccc1C=NO
InChIInChI=1S/C16H25NO2/c1-2-3-4-5-6-7-10-13-19-16-12-9-8-11-15(16)14-17-18/h8-9,11-12,14,18H,2-7,10,13H2,1H3
InChIKeyYHEKLJFCDOLGDD-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.62
Rot. Bonds10

About N-[(2-nonoxyphenyl)methylidene]hydroxylamine

N-[(2-nonoxyphenyl)methylidene]hydroxylamine (PubChem CID 87365234) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(2-nonoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2-nonoxyphenyl)methylidene]hydroxylamine
PubChem CID87365234
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(2-nonoxyphenyl)methylidene]hydroxylamine
SMILESCCCCCCCCCOc1ccccc1C=NO
InChIInChI=1S/C16H25NO2/c1-2-3-4-5-6-7-10-13-19-16-12-9-8-11-15(16)14-17-18/h8-9,11-12,14,18H,2-7,10,13H2,1H3
InChIKeyYHEKLJFCDOLGDD-UHFFFAOYSA-N
XLogP4.62
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(2-nonoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(2-nonoxyphenyl)methylidene]hydroxylamine (CID 87365234) is N-[(2-nonoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2-nonoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2-nonoxyphenyl)methylidene]hydroxylamine is CCCCCCCCCOc1ccccc1C=NO.
What is the InChIKey of N-[(2-nonoxyphenyl)methylidene]hydroxylamine?
The InChIKey is YHEKLJFCDOLGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-3-4-5-6-7-10-13-19-16-12-9-8-11-15(16)14-17-18/h8-9,11-12,14,18H,2-7,10,13H2,1H3.
What are the key properties of N-[(2-nonoxyphenyl)methylidene]hydroxylamine?
N-[(2-nonoxyphenyl)methylidene]hydroxylamine has a molecular weight of 263.38 g/mol, XLogP of 4.62, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-nonoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 87365234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).