(NE)-N-(2H-acenaphthylen-1-ylidene)hydroxylamine

C12H9NO — CID 5355292

IUPAC(NE)-N-(2H-acenaphthylen-1-ylidene)hydroxylamine
SMILESO/N=C1\Cc2cccc3cccc1c23
InChIInChI=1S/C12H9NO/c14-13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6,14H,7H2/b13-11+
InChIKeyYBYBQPOXHIHVOX-ACCUITESSA-N
MW183.21 g/mol
LogP2.57
Rot. Bonds

About (NE)-N-(2H-acenaphthylen-1-ylidene)hydroxylamine

(NE)-N-(2H-acenaphthylen-1-ylidene)hydroxylamine (PubChem CID 5355292) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is (NE)-N-(2H-acenaphthylen-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2H-acenaphthylen-1-ylidene)hydroxylamine
PubChem CID5355292
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name(NE)-N-(2H-acenaphthylen-1-ylidene)hydroxylamine
SMILESO/N=C1\Cc2cccc3cccc1c23
InChIInChI=1S/C12H9NO/c14-13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6,14H,7H2/b13-11+
InChIKeyYBYBQPOXHIHVOX-ACCUITESSA-N
XLogP2.57
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.57
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-(2H-acenaphthylen-1-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2H-acenaphthylen-1-ylidene)hydroxylamine (CID 5355292) is (NE)-N-(2H-acenaphthylen-1-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2H-acenaphthylen-1-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2H-acenaphthylen-1-ylidene)hydroxylamine is O/N=C1\Cc2cccc3cccc1c23.
What is the InChIKey of (NE)-N-(2H-acenaphthylen-1-ylidene)hydroxylamine?
The InChIKey is YBYBQPOXHIHVOX-ACCUITESSA-N. The full InChI is InChI=1S/C12H9NO/c14-13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6,14H,7H2/b13-11+.
What are the key properties of (NE)-N-(2H-acenaphthylen-1-ylidene)hydroxylamine?
(NE)-N-(2H-acenaphthylen-1-ylidene)hydroxylamine has a molecular weight of 183.21 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2H-acenaphthylen-1-ylidene)hydroxylamine is sourced from PubChem (CID 5355292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).