(NE)-N-(1-thiophen-2-ylbut-3-enylidene)hydroxylamine

C8H9NOS — CID 135086133

IUPAC(NE)-N-(1-thiophen-2-ylbut-3-enylidene)hydroxylamine
SMILESC=CC/C(=N\O)c1cccs1
InChIInChI=1S/C8H9NOS/c1-2-4-7(9-10)8-5-3-6-11-8/h2-3,5-6,10H,1,4H2/b9-7+
InChIKeyRGPFAWUJEOHQBT-VQHVLOKHSA-N
MW167.23 g/mol
LogP2.50
Rot. Bonds3

About (NE)-N-(1-thiophen-2-ylbut-3-enylidene)hydroxylamine

(NE)-N-(1-thiophen-2-ylbut-3-enylidene)hydroxylamine (PubChem CID 135086133) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is (NE)-N-(1-thiophen-2-ylbut-3-enylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-thiophen-2-ylbut-3-enylidene)hydroxylamine
PubChem CID135086133
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name(NE)-N-(1-thiophen-2-ylbut-3-enylidene)hydroxylamine
SMILESC=CC/C(=N\O)c1cccs1
InChIInChI=1S/C8H9NOS/c1-2-4-7(9-10)8-5-3-6-11-8/h2-3,5-6,10H,1,4H2/b9-7+
InChIKeyRGPFAWUJEOHQBT-VQHVLOKHSA-N
XLogP2.50
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(1-thiophen-2-ylbut-3-enylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-thiophen-2-ylbut-3-enylidene)hydroxylamine (CID 135086133) is (NE)-N-(1-thiophen-2-ylbut-3-enylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-thiophen-2-ylbut-3-enylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-thiophen-2-ylbut-3-enylidene)hydroxylamine is C=CC/C(=N\O)c1cccs1.
What is the InChIKey of (NE)-N-(1-thiophen-2-ylbut-3-enylidene)hydroxylamine?
The InChIKey is RGPFAWUJEOHQBT-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H9NOS/c1-2-4-7(9-10)8-5-3-6-11-8/h2-3,5-6,10H,1,4H2/b9-7+.
What are the key properties of (NE)-N-(1-thiophen-2-ylbut-3-enylidene)hydroxylamine?
(NE)-N-(1-thiophen-2-ylbut-3-enylidene)hydroxylamine has a molecular weight of 167.23 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-thiophen-2-ylbut-3-enylidene)hydroxylamine is sourced from PubChem (CID 135086133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).