1-(1-benzothiophen-3-yl)-N-methoxymethanimine

C10H9NOS — CID 76609479

IUPAC1-(1-benzothiophen-3-yl)-N-methoxymethanimine
SMILESCON=Cc1csc2ccccc12
InChIInChI=1S/C10H9NOS/c1-12-11-6-8-7-13-10-5-3-2-4-9(8)10/h2-7H,1H3
InChIKeyGMSKEYHRYGHQSL-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.88
Rot. Bonds2

About 1-(1-benzothiophen-3-yl)-N-methoxymethanimine

1-(1-benzothiophen-3-yl)-N-methoxymethanimine (PubChem CID 76609479) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-methoxymethanimine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-methoxymethanimine
PubChem CID76609479
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name1-(1-benzothiophen-3-yl)-N-methoxymethanimine
SMILESCON=Cc1csc2ccccc12
InChIInChI=1S/C10H9NOS/c1-12-11-6-8-7-13-10-5-3-2-4-9(8)10/h2-7H,1H3
InChIKeyGMSKEYHRYGHQSL-UHFFFAOYSA-N
XLogP2.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(1-benzothiophen-3-yl)-N-methoxymethanimine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-methoxymethanimine (CID 76609479) is 1-(1-benzothiophen-3-yl)-N-methoxymethanimine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-methoxymethanimine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-methoxymethanimine is CON=Cc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-methoxymethanimine?
The InChIKey is GMSKEYHRYGHQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-12-11-6-8-7-13-10-5-3-2-4-9(8)10/h2-7H,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-methoxymethanimine?
1-(1-benzothiophen-3-yl)-N-methoxymethanimine has a molecular weight of 191.25 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-methoxymethanimine is sourced from PubChem (CID 76609479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).