1-(5-chlorothiophen-2-yl)-N-(2-methylidenebutoxy)ethanimine

C11H14ClNOS — CID 76696792

IUPAC1-(5-chlorothiophen-2-yl)-N-(2-methylidenebutoxy)ethanimine
SMILESC=C(CC)CON=C(C)c1ccc(Cl)s1
InChIInChI=1S/C11H14ClNOS/c1-4-8(2)7-14-13-9(3)10-5-6-11(12)15-10/h5-6H,2,4,7H2,1,3H3
InChIKeyHBHPQPVGTCBCPW-UHFFFAOYSA-N
MW243.76 g/mol
LogP4.11
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-N-(2-methylidenebutoxy)ethanimine

1-(5-chlorothiophen-2-yl)-N-(2-methylidenebutoxy)ethanimine (PubChem CID 76696792) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-(2-methylidenebutoxy)ethanimine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-(2-methylidenebutoxy)ethanimine
PubChem CID76696792
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name1-(5-chlorothiophen-2-yl)-N-(2-methylidenebutoxy)ethanimine
SMILESC=C(CC)CON=C(C)c1ccc(Cl)s1
InChIInChI=1S/C11H14ClNOS/c1-4-8(2)7-14-13-9(3)10-5-6-11(12)15-10/h5-6H,2,4,7H2,1,3H3
InChIKeyHBHPQPVGTCBCPW-UHFFFAOYSA-N
XLogP4.11
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 54.11
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(2-methylidenebutoxy)ethanimine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(2-methylidenebutoxy)ethanimine (CID 76696792) is 1-(5-chlorothiophen-2-yl)-N-(2-methylidenebutoxy)ethanimine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-(2-methylidenebutoxy)ethanimine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-(2-methylidenebutoxy)ethanimine is C=C(CC)CON=C(C)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-(2-methylidenebutoxy)ethanimine?
The InChIKey is HBHPQPVGTCBCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c1-4-8(2)7-14-13-9(3)10-5-6-11(12)15-10/h5-6H,2,4,7H2,1,3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-(2-methylidenebutoxy)ethanimine?
1-(5-chlorothiophen-2-yl)-N-(2-methylidenebutoxy)ethanimine has a molecular weight of 243.76 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-(2-methylidenebutoxy)ethanimine is sourced from PubChem (CID 76696792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).