1-[5-(2-propan-2-yloxyiminoethyl)thiophen-2-yl]ethanone

C11H15NO2S — CID 54309393

IUPAC1-[5-(2-propan-2-yloxyiminoethyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(CC=NOC(C)C)s1
InChIInChI=1S/C11H15NO2S/c1-8(2)14-12-7-6-10-4-5-11(15-10)9(3)13/h4-5,7-8H,6H2,1-3H3
InChIKeySJVDWMNDNFURCU-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.90
Rot. Bonds5

About 1-[5-(2-propan-2-yloxyiminoethyl)thiophen-2-yl]ethanone

1-[5-(2-propan-2-yloxyiminoethyl)thiophen-2-yl]ethanone (PubChem CID 54309393) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-[5-(2-propan-2-yloxyiminoethyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-propan-2-yloxyiminoethyl)thiophen-2-yl]ethanone
PubChem CID54309393
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-[5-(2-propan-2-yloxyiminoethyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(CC=NOC(C)C)s1
InChIInChI=1S/C11H15NO2S/c1-8(2)14-12-7-6-10-4-5-11(15-10)9(3)13/h4-5,7-8H,6H2,1-3H3
InChIKeySJVDWMNDNFURCU-UHFFFAOYSA-N
XLogP2.90
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 1-[5-(2-propan-2-yloxyiminoethyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(2-propan-2-yloxyiminoethyl)thiophen-2-yl]ethanone (CID 54309393) is 1-[5-(2-propan-2-yloxyiminoethyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(2-propan-2-yloxyiminoethyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(2-propan-2-yloxyiminoethyl)thiophen-2-yl]ethanone is CC(=O)c1ccc(CC=NOC(C)C)s1.
What is the InChIKey of 1-[5-(2-propan-2-yloxyiminoethyl)thiophen-2-yl]ethanone?
The InChIKey is SJVDWMNDNFURCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8(2)14-12-7-6-10-4-5-11(15-10)9(3)13/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 1-[5-(2-propan-2-yloxyiminoethyl)thiophen-2-yl]ethanone?
1-[5-(2-propan-2-yloxyiminoethyl)thiophen-2-yl]ethanone has a molecular weight of 225.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-propan-2-yloxyiminoethyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 54309393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).