ethane;N-(1-phenyl-2-pyridin-2-ylethylidene)hydroxylamine

C17H24N2O — CID 90945952

IUPACethane;N-(1-phenyl-2-pyridin-2-ylethylidene)hydroxylamine
SMILESCC.CC.ON=C(Cc1ccccn1)c1ccccc1
InChIInChI=1S/C13H12N2O.2C2H6/c16-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12;2*1-2/h1-9,16H,10H2;2*1-2H3
InChIKeyWPDPCWGOLOCDOE-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.55
Rot. Bonds3

About ethane;N-(1-phenyl-2-pyridin-2-ylethylidene)hydroxylamine

ethane;N-(1-phenyl-2-pyridin-2-ylethylidene)hydroxylamine (PubChem CID 90945952) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is ethane;N-(1-phenyl-2-pyridin-2-ylethylidene)hydroxylamine.

Molecular Properties

Compound Nameethane;N-(1-phenyl-2-pyridin-2-ylethylidene)hydroxylamine
PubChem CID90945952
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Nameethane;N-(1-phenyl-2-pyridin-2-ylethylidene)hydroxylamine
SMILESCC.CC.ON=C(Cc1ccccn1)c1ccccc1
InChIInChI=1S/C13H12N2O.2C2H6/c16-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12;2*1-2/h1-9,16H,10H2;2*1-2H3
InChIKeyWPDPCWGOLOCDOE-UHFFFAOYSA-N
XLogP4.55
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 ethane;N-(1-phenyl-2-pyridin-2-ylethylidene)hydroxylamine?
The IUPAC name of ethane;N-(1-phenyl-2-pyridin-2-ylethylidene)hydroxylamine (CID 90945952) is ethane;N-(1-phenyl-2-pyridin-2-ylethylidene)hydroxylamine.
What is the SMILES notation for ethane;N-(1-phenyl-2-pyridin-2-ylethylidene)hydroxylamine?
The canonical SMILES for ethane;N-(1-phenyl-2-pyridin-2-ylethylidene)hydroxylamine is CC.CC.ON=C(Cc1ccccn1)c1ccccc1.
What is the InChIKey of ethane;N-(1-phenyl-2-pyridin-2-ylethylidene)hydroxylamine?
The InChIKey is WPDPCWGOLOCDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O.2C2H6/c16-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12;2*1-2/h1-9,16H,10H2;2*1-2H3.
What are the key properties of ethane;N-(1-phenyl-2-pyridin-2-ylethylidene)hydroxylamine?
ethane;N-(1-phenyl-2-pyridin-2-ylethylidene)hydroxylamine has a molecular weight of 272.39 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(1-phenyl-2-pyridin-2-ylethylidene)hydroxylamine is sourced from PubChem (CID 90945952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).