(NE)-N-[(2E)-2-benzylidenecyclohexylidene]hydroxylamine

C13H15NO — CID 5410937

IUPAC(NE)-N-[(2E)-2-benzylidenecyclohexylidene]hydroxylamine
SMILESO/N=C1\CCCC\C1=C/c1ccccc1
InChIInChI=1S/C13H15NO/c15-14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,10,15H,4-5,8-9H2/b12-10+,14-13+
InChIKeyRWOLAHHEUZXIJZ-HBKPYOMSSA-N
MW201.27 g/mol
LogP3.47
Rot. Bonds1

About (NE)-N-[(2E)-2-benzylidenecyclohexylidene]hydroxylamine

(NE)-N-[(2E)-2-benzylidenecyclohexylidene]hydroxylamine (PubChem CID 5410937) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (NE)-N-[(2E)-2-benzylidenecyclohexylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2E)-2-benzylidenecyclohexylidene]hydroxylamine
PubChem CID5410937
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(NE)-N-[(2E)-2-benzylidenecyclohexylidene]hydroxylamine
SMILESO/N=C1\CCCC\C1=C/c1ccccc1
InChIInChI=1S/C13H15NO/c15-14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,10,15H,4-5,8-9H2/b12-10+,14-13+
InChIKeyRWOLAHHEUZXIJZ-HBKPYOMSSA-N
XLogP3.47
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (NE)-N-[(2E)-2-benzylidenecyclohexylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2E)-2-benzylidenecyclohexylidene]hydroxylamine (CID 5410937) is (NE)-N-[(2E)-2-benzylidenecyclohexylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2E)-2-benzylidenecyclohexylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2E)-2-benzylidenecyclohexylidene]hydroxylamine is O/N=C1\CCCC\C1=C/c1ccccc1.
What is the InChIKey of (NE)-N-[(2E)-2-benzylidenecyclohexylidene]hydroxylamine?
The InChIKey is RWOLAHHEUZXIJZ-HBKPYOMSSA-N. The full InChI is InChI=1S/C13H15NO/c15-14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,10,15H,4-5,8-9H2/b12-10+,14-13+.
What are the key properties of (NE)-N-[(2E)-2-benzylidenecyclohexylidene]hydroxylamine?
(NE)-N-[(2E)-2-benzylidenecyclohexylidene]hydroxylamine has a molecular weight of 201.27 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2E)-2-benzylidenecyclohexylidene]hydroxylamine is sourced from PubChem (CID 5410937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).