(NE)-N-spiro[2,4-dihydronaphthalene-3,3'-cyclohexene]-1-ylidenehydroxylamine

C15H17NO — CID 23598654

IUPAC(NE)-N-spiro[2,4-dihydronaphthalene-3,3'-cyclohexene]-1-ylidenehydroxylamine
SMILESO/N=C1\CC2(C=CCCC2)Cc2ccccc21
InChIInChI=1S/C15H17NO/c17-16-14-11-15(8-4-1-5-9-15)10-12-6-2-3-7-13(12)14/h2-4,6-8,17H,1,5,9-11H2/b16-14+
InChIKeyHSVJLYZBHMNYGF-JQIJEIRASA-N
MW227.31 g/mol
LogP3.54
Rot. Bonds

About (NE)-N-spiro[2,4-dihydronaphthalene-3,3'-cyclohexene]-1-ylidenehydroxylamine

(NE)-N-spiro[2,4-dihydronaphthalene-3,3'-cyclohexene]-1-ylidenehydroxylamine (PubChem CID 23598654) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (NE)-N-spiro[2,4-dihydronaphthalene-3,3'-cyclohexene]-1-ylidenehydroxylamine.

Molecular Properties

Compound Name(NE)-N-spiro[2,4-dihydronaphthalene-3,3'-cyclohexene]-1-ylidenehydroxylamine
PubChem CID23598654
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(NE)-N-spiro[2,4-dihydronaphthalene-3,3'-cyclohexene]-1-ylidenehydroxylamine
SMILESO/N=C1\CC2(C=CCCC2)Cc2ccccc21
InChIInChI=1S/C15H17NO/c17-16-14-11-15(8-4-1-5-9-15)10-12-6-2-3-7-13(12)14/h2-4,6-8,17H,1,5,9-11H2/b16-14+
InChIKeyHSVJLYZBHMNYGF-JQIJEIRASA-N
XLogP3.54
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 (NE)-N-spiro[2,4-dihydronaphthalene-3,3'-cyclohexene]-1-ylidenehydroxylamine?
The IUPAC name of (NE)-N-spiro[2,4-dihydronaphthalene-3,3'-cyclohexene]-1-ylidenehydroxylamine (CID 23598654) is (NE)-N-spiro[2,4-dihydronaphthalene-3,3'-cyclohexene]-1-ylidenehydroxylamine.
What is the SMILES notation for (NE)-N-spiro[2,4-dihydronaphthalene-3,3'-cyclohexene]-1-ylidenehydroxylamine?
The canonical SMILES for (NE)-N-spiro[2,4-dihydronaphthalene-3,3'-cyclohexene]-1-ylidenehydroxylamine is O/N=C1\CC2(C=CCCC2)Cc2ccccc21.
What is the InChIKey of (NE)-N-spiro[2,4-dihydronaphthalene-3,3'-cyclohexene]-1-ylidenehydroxylamine?
The InChIKey is HSVJLYZBHMNYGF-JQIJEIRASA-N. The full InChI is InChI=1S/C15H17NO/c17-16-14-11-15(8-4-1-5-9-15)10-12-6-2-3-7-13(12)14/h2-4,6-8,17H,1,5,9-11H2/b16-14+.
What are the key properties of (NE)-N-spiro[2,4-dihydronaphthalene-3,3'-cyclohexene]-1-ylidenehydroxylamine?
(NE)-N-spiro[2,4-dihydronaphthalene-3,3'-cyclohexene]-1-ylidenehydroxylamine has a molecular weight of 227.31 g/mol, XLogP of 3.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-spiro[2,4-dihydronaphthalene-3,3'-cyclohexene]-1-ylidenehydroxylamine is sourced from PubChem (CID 23598654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).