(NE)-N-[[3-[(E)-2-phenylethenyl]thiophen-2-yl]methylidene]hydroxylamine

C13H11NOS — CID 15033310

IUPAC(NE)-N-[[3-[(E)-2-phenylethenyl]thiophen-2-yl]methylidene]hydroxylamine
SMILESO/N=C/c1sccc1/C=C/c1ccccc1
InChIInChI=1S/C13H11NOS/c15-14-10-13-12(8-9-16-13)7-6-11-4-2-1-3-5-11/h1-10,15H/b7-6+,14-10+
InChIKeyLDVXBAJHMGTILQ-GOLNNHHQSA-N
MW229.30 g/mol
LogP3.73
Rot. Bonds3

About (NE)-N-[[3-[(E)-2-phenylethenyl]thiophen-2-yl]methylidene]hydroxylamine

(NE)-N-[[3-[(E)-2-phenylethenyl]thiophen-2-yl]methylidene]hydroxylamine (PubChem CID 15033310) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is (NE)-N-[[3-[(E)-2-phenylethenyl]thiophen-2-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[3-[(E)-2-phenylethenyl]thiophen-2-yl]methylidene]hydroxylamine
PubChem CID15033310
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name(NE)-N-[[3-[(E)-2-phenylethenyl]thiophen-2-yl]methylidene]hydroxylamine
SMILESO/N=C/c1sccc1/C=C/c1ccccc1
InChIInChI=1S/C13H11NOS/c15-14-10-13-12(8-9-16-13)7-6-11-4-2-1-3-5-11/h1-10,15H/b7-6+,14-10+
InChIKeyLDVXBAJHMGTILQ-GOLNNHHQSA-N
XLogP3.73
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.73
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 (NE)-N-[[3-[(E)-2-phenylethenyl]thiophen-2-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[3-[(E)-2-phenylethenyl]thiophen-2-yl]methylidene]hydroxylamine (CID 15033310) is (NE)-N-[[3-[(E)-2-phenylethenyl]thiophen-2-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[3-[(E)-2-phenylethenyl]thiophen-2-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[3-[(E)-2-phenylethenyl]thiophen-2-yl]methylidene]hydroxylamine is O/N=C/c1sccc1/C=C/c1ccccc1.
What is the InChIKey of (NE)-N-[[3-[(E)-2-phenylethenyl]thiophen-2-yl]methylidene]hydroxylamine?
The InChIKey is LDVXBAJHMGTILQ-GOLNNHHQSA-N. The full InChI is InChI=1S/C13H11NOS/c15-14-10-13-12(8-9-16-13)7-6-11-4-2-1-3-5-11/h1-10,15H/b7-6+,14-10+.
What are the key properties of (NE)-N-[[3-[(E)-2-phenylethenyl]thiophen-2-yl]methylidene]hydroxylamine?
(NE)-N-[[3-[(E)-2-phenylethenyl]thiophen-2-yl]methylidene]hydroxylamine has a molecular weight of 229.30 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[3-[(E)-2-phenylethenyl]thiophen-2-yl]methylidene]hydroxylamine is sourced from PubChem (CID 15033310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).