(NE)-N-(7-phenylselanylheptylidene)hydroxylamine

C13H19NOSe — CID 134994597

IUPAC(NE)-N-(7-phenylselanylheptylidene)hydroxylamine
SMILESO/N=C/CCCCCC[Se]c1ccccc1
InChIInChI=1S/C13H19NOSe/c15-14-11-7-2-1-3-8-12-16-13-9-5-4-6-10-13/h4-6,9-11,15H,1-3,7-8,12H2/b14-11+
InChIKeyNTAORLNDONLDCM-SDNWHVSQSA-N
MW284.26 g/mol
LogP2.84
Rot. Bonds8

About (NE)-N-(7-phenylselanylheptylidene)hydroxylamine

(NE)-N-(7-phenylselanylheptylidene)hydroxylamine (PubChem CID 134994597) has the molecular formula C13H19NOSe and a molecular weight of 284.26 g/mol. Its IUPAC name is (NE)-N-(7-phenylselanylheptylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(7-phenylselanylheptylidene)hydroxylamine
PubChem CID134994597
Molecular FormulaC13H19NOSe
Molecular Weight284.26 g/mol
Exact Mass285.06
IUPAC Name(NE)-N-(7-phenylselanylheptylidene)hydroxylamine
SMILESO/N=C/CCCCCC[Se]c1ccccc1
InChIInChI=1S/C13H19NOSe/c15-14-11-7-2-1-3-8-12-16-13-9-5-4-6-10-13/h4-6,9-11,15H,1-3,7-8,12H2/b14-11+
InChIKeyNTAORLNDONLDCM-SDNWHVSQSA-N
XLogP2.84
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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 (NE)-N-(7-phenylselanylheptylidene)hydroxylamine?
The IUPAC name of (NE)-N-(7-phenylselanylheptylidene)hydroxylamine (CID 134994597) is (NE)-N-(7-phenylselanylheptylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(7-phenylselanylheptylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(7-phenylselanylheptylidene)hydroxylamine is O/N=C/CCCCCC[Se]c1ccccc1.
What is the InChIKey of (NE)-N-(7-phenylselanylheptylidene)hydroxylamine?
The InChIKey is NTAORLNDONLDCM-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H19NOSe/c15-14-11-7-2-1-3-8-12-16-13-9-5-4-6-10-13/h4-6,9-11,15H,1-3,7-8,12H2/b14-11+.
What are the key properties of (NE)-N-(7-phenylselanylheptylidene)hydroxylamine?
(NE)-N-(7-phenylselanylheptylidene)hydroxylamine has a molecular weight of 284.26 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(7-phenylselanylheptylidene)hydroxylamine is sourced from PubChem (CID 134994597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).