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

C8H11NOS — CID 76979168

IUPACN-(2-methyl-1-thiophen-2-ylpropylidene)hydroxylamine
SMILESCC(C)C(=NO)c1cccs1
InChIInChI=1S/C8H11NOS/c1-6(2)8(9-10)7-4-3-5-11-7/h3-6,10H,1-2H3
InChIKeyDXKDJJMXWQZEDB-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.58
Rot. Bonds2

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

N-(2-methyl-1-thiophen-2-ylpropylidene)hydroxylamine (PubChem CID 76979168) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is N-(2-methyl-1-thiophen-2-ylpropylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-methyl-1-thiophen-2-ylpropylidene)hydroxylamine
PubChem CID76979168
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC NameN-(2-methyl-1-thiophen-2-ylpropylidene)hydroxylamine
SMILESCC(C)C(=NO)c1cccs1
InChIInChI=1S/C8H11NOS/c1-6(2)8(9-10)7-4-3-5-11-7/h3-6,10H,1-2H3
InChIKeyDXKDJJMXWQZEDB-UHFFFAOYSA-N
XLogP2.58
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.58
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 N-(2-methyl-1-thiophen-2-ylpropylidene)hydroxylamine?
The IUPAC name of N-(2-methyl-1-thiophen-2-ylpropylidene)hydroxylamine (CID 76979168) is N-(2-methyl-1-thiophen-2-ylpropylidene)hydroxylamine.
What is the SMILES notation for N-(2-methyl-1-thiophen-2-ylpropylidene)hydroxylamine?
The canonical SMILES for N-(2-methyl-1-thiophen-2-ylpropylidene)hydroxylamine is CC(C)C(=NO)c1cccs1.
What is the InChIKey of N-(2-methyl-1-thiophen-2-ylpropylidene)hydroxylamine?
The InChIKey is DXKDJJMXWQZEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-6(2)8(9-10)7-4-3-5-11-7/h3-6,10H,1-2H3.
What are the key properties of N-(2-methyl-1-thiophen-2-ylpropylidene)hydroxylamine?
N-(2-methyl-1-thiophen-2-ylpropylidene)hydroxylamine has a molecular weight of 169.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-thiophen-2-ylpropylidene)hydroxylamine is sourced from PubChem (CID 76979168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).