(2E)-2-ethylidene-1-thiophen-3-ylpentan-1-one

C11H14OS — CID 125485859

IUPAC(2E)-2-ethylidene-1-thiophen-3-ylpentan-1-one
SMILESC/C=C(\CCC)C(=O)c1ccsc1
InChIInChI=1S/C11H14OS/c1-3-5-9(4-2)11(12)10-6-7-13-8-10/h4,6-8H,3,5H2,1-2H3/b9-4+
InChIKeyQKXIZRBSBZLKLT-RUDMXATFSA-N
MW194.30 g/mol
LogP3.68
Rot. Bonds4

About (2E)-2-ethylidene-1-thiophen-3-ylpentan-1-one

(2E)-2-ethylidene-1-thiophen-3-ylpentan-1-one (PubChem CID 125485859) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is (2E)-2-ethylidene-1-thiophen-3-ylpentan-1-one.

Molecular Properties

Compound Name(2E)-2-ethylidene-1-thiophen-3-ylpentan-1-one
PubChem CID125485859
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name(2E)-2-ethylidene-1-thiophen-3-ylpentan-1-one
SMILESC/C=C(\CCC)C(=O)c1ccsc1
InChIInChI=1S/C11H14OS/c1-3-5-9(4-2)11(12)10-6-7-13-8-10/h4,6-8H,3,5H2,1-2H3/b9-4+
InChIKeyQKXIZRBSBZLKLT-RUDMXATFSA-N
XLogP3.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[(4Z,6E)-5,6-dipropyldeca-4,6-dien-4-yl]thiophene
CID 11771158
2-methyl-1-thiophen-3-ylprop-2-en-1-one
CID 69300570
3-butoxy-1-thiophen-3-ylpropan-1-one
CID 115001826
(E)-2-thiophen-3-ylhept-2-enal
CID 10655448
3-buta-1,3-dien-2-ylthiophene;ethane;prop-1-ene
CID 143157871
2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one
CID 103446763
2-thiophen-3-ylbut-2-enal
CID 173416997
1-hydroxy-3-(1-thiophen-3-ylprop-1-enyl)urea
CID 173353718
N-thiophen-3-ylbutanamide
CID 57133126
N-[(Z)-1-thiophen-3-ylprop-1-enyl]propan-1-imine
CID 143220817
(E)-3-(ethylamino)-1-thiophen-3-ylprop-2-en-1-one
CID 23591192
3-ethoxy-1-thiophen-3-ylprop-2-en-1-one
CID 76951467

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-1-thiophen-3-ylpentan-1-one?
The IUPAC name of (2E)-2-ethylidene-1-thiophen-3-ylpentan-1-one (CID 125485859) is (2E)-2-ethylidene-1-thiophen-3-ylpentan-1-one.
What is the SMILES notation for (2E)-2-ethylidene-1-thiophen-3-ylpentan-1-one?
The canonical SMILES for (2E)-2-ethylidene-1-thiophen-3-ylpentan-1-one is C/C=C(\CCC)C(=O)c1ccsc1.
What is the InChIKey of (2E)-2-ethylidene-1-thiophen-3-ylpentan-1-one?
The InChIKey is QKXIZRBSBZLKLT-RUDMXATFSA-N. The full InChI is InChI=1S/C11H14OS/c1-3-5-9(4-2)11(12)10-6-7-13-8-10/h4,6-8H,3,5H2,1-2H3/b9-4+.
What are the key properties of (2E)-2-ethylidene-1-thiophen-3-ylpentan-1-one?
(2E)-2-ethylidene-1-thiophen-3-ylpentan-1-one has a molecular weight of 194.30 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-1-thiophen-3-ylpentan-1-one is sourced from PubChem (CID 125485859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).