(2E)-2-(2-methylidenebutylidene)thiophen-3-imine

C9H11NS — CID 155130400

IUPAC(2E)-2-(2-methylidenebutylidene)thiophen-3-imine
SMILES[H]/N=C1\C=CS\C1=C\C(=C)CC
InChIInChI=1S/C9H11NS/c1-3-7(2)6-9-8(10)4-5-11-9/h4-6,10H,2-3H2,1H3/b9-6+,10-8+
InChIKeyHVOGOQVDVGYXMX-OAMUUVBCSA-N
MW165.26 g/mol
LogP3.12
Rot. Bonds2

About (2E)-2-(2-methylidenebutylidene)thiophen-3-imine

(2E)-2-(2-methylidenebutylidene)thiophen-3-imine (PubChem CID 155130400) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is (2E)-2-(2-methylidenebutylidene)thiophen-3-imine.

Molecular Properties

Compound Name(2E)-2-(2-methylidenebutylidene)thiophen-3-imine
PubChem CID155130400
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name(2E)-2-(2-methylidenebutylidene)thiophen-3-imine
SMILES[H]/N=C1\C=CS\C1=C\C(=C)CC
InChIInChI=1S/C9H11NS/c1-3-7(2)6-9-8(10)4-5-11-9/h4-6,10H,2-3H2,1H3/b9-6+,10-8+
InChIKeyHVOGOQVDVGYXMX-OAMUUVBCSA-N
XLogP3.12
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2-methylidenebutylidene)thiophen-3-imine?
The IUPAC name of (2E)-2-(2-methylidenebutylidene)thiophen-3-imine (CID 155130400) is (2E)-2-(2-methylidenebutylidene)thiophen-3-imine.
What is the SMILES notation for (2E)-2-(2-methylidenebutylidene)thiophen-3-imine?
The canonical SMILES for (2E)-2-(2-methylidenebutylidene)thiophen-3-imine is [H]/N=C1\C=CS\C1=C\C(=C)CC.
What is the InChIKey of (2E)-2-(2-methylidenebutylidene)thiophen-3-imine?
The InChIKey is HVOGOQVDVGYXMX-OAMUUVBCSA-N. The full InChI is InChI=1S/C9H11NS/c1-3-7(2)6-9-8(10)4-5-11-9/h4-6,10H,2-3H2,1H3/b9-6+,10-8+.
What are the key properties of (2E)-2-(2-methylidenebutylidene)thiophen-3-imine?
(2E)-2-(2-methylidenebutylidene)thiophen-3-imine has a molecular weight of 165.26 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-methylidenebutylidene)thiophen-3-imine is sourced from PubChem (CID 155130400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).