N-[1-[5-(2-phenylethynyl)thiophen-2-yl]ethylidene]hydroxylamine

C14H11NOS — CID 2822849

IUPACN-[1-[5-(2-phenylethynyl)thiophen-2-yl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc(C#Cc2ccccc2)s1
InChIInChI=1S/C14H11NOS/c1-11(15-16)14-10-9-13(17-14)8-7-12-5-3-2-4-6-12/h2-6,9-10,16H,1H3
InChIKeyRMSWIHFORLUOIJ-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.35
Rot. Bonds1

About N-[1-[5-(2-phenylethynyl)thiophen-2-yl]ethylidene]hydroxylamine

N-[1-[5-(2-phenylethynyl)thiophen-2-yl]ethylidene]hydroxylamine (PubChem CID 2822849) has the molecular formula C14H11NOS and a molecular weight of 241.31 g/mol. Its IUPAC name is N-[1-[5-(2-phenylethynyl)thiophen-2-yl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[5-(2-phenylethynyl)thiophen-2-yl]ethylidene]hydroxylamine
PubChem CID2822849
Molecular FormulaC14H11NOS
Molecular Weight241.31 g/mol
Exact Mass241.06
IUPAC NameN-[1-[5-(2-phenylethynyl)thiophen-2-yl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc(C#Cc2ccccc2)s1
InChIInChI=1S/C14H11NOS/c1-11(15-16)14-10-9-13(17-14)8-7-12-5-3-2-4-6-12/h2-6,9-10,16H,1H3
InChIKeyRMSWIHFORLUOIJ-UHFFFAOYSA-N
XLogP3.35
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.35
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2-phenylethynyl)thiophen-2-yl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[5-(2-phenylethynyl)thiophen-2-yl]ethylidene]hydroxylamine (CID 2822849) is N-[1-[5-(2-phenylethynyl)thiophen-2-yl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[5-(2-phenylethynyl)thiophen-2-yl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[5-(2-phenylethynyl)thiophen-2-yl]ethylidene]hydroxylamine is CC(=NO)c1ccc(C#Cc2ccccc2)s1.
What is the InChIKey of N-[1-[5-(2-phenylethynyl)thiophen-2-yl]ethylidene]hydroxylamine?
The InChIKey is RMSWIHFORLUOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-11(15-16)14-10-9-13(17-14)8-7-12-5-3-2-4-6-12/h2-6,9-10,16H,1H3.
What are the key properties of N-[1-[5-(2-phenylethynyl)thiophen-2-yl]ethylidene]hydroxylamine?
N-[1-[5-(2-phenylethynyl)thiophen-2-yl]ethylidene]hydroxylamine has a molecular weight of 241.31 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(2-phenylethynyl)thiophen-2-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 2822849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).