(NE)-N-(1-thiophen-2-ylpropylidene)hydroxylamine

C7H9NOS — CID 13397548

IUPAC(NE)-N-(1-thiophen-2-ylpropylidene)hydroxylamine
SMILESCC/C(=N\O)c1cccs1
InChIInChI=1S/C7H9NOS/c1-2-6(8-9)7-4-3-5-10-7/h3-5,9H,2H2,1H3/b8-6+
InChIKeyOMZQGWSYEDCTKB-SOFGYWHQSA-N
MW155.22 g/mol
LogP2.34
Rot. Bonds2

About (NE)-N-(1-thiophen-2-ylpropylidene)hydroxylamine

(NE)-N-(1-thiophen-2-ylpropylidene)hydroxylamine (PubChem CID 13397548) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is (NE)-N-(1-thiophen-2-ylpropylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-thiophen-2-ylpropylidene)hydroxylamine
PubChem CID13397548
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name(NE)-N-(1-thiophen-2-ylpropylidene)hydroxylamine
SMILESCC/C(=N\O)c1cccs1
InChIInChI=1S/C7H9NOS/c1-2-6(8-9)7-4-3-5-10-7/h3-5,9H,2H2,1H3/b8-6+
InChIKeyOMZQGWSYEDCTKB-SOFGYWHQSA-N
XLogP2.34
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.34
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-(1-thiophen-2-ylpropylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-thiophen-2-ylpropylidene)hydroxylamine (CID 13397548) is (NE)-N-(1-thiophen-2-ylpropylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-thiophen-2-ylpropylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-thiophen-2-ylpropylidene)hydroxylamine is CC/C(=N\O)c1cccs1.
What is the InChIKey of (NE)-N-(1-thiophen-2-ylpropylidene)hydroxylamine?
The InChIKey is OMZQGWSYEDCTKB-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H9NOS/c1-2-6(8-9)7-4-3-5-10-7/h3-5,9H,2H2,1H3/b8-6+.
What are the key properties of (NE)-N-(1-thiophen-2-ylpropylidene)hydroxylamine?
(NE)-N-(1-thiophen-2-ylpropylidene)hydroxylamine has a molecular weight of 155.22 g/mol, XLogP of 2.34, 2 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-ylpropylidene)hydroxylamine is sourced from PubChem (CID 13397548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).