(Z)-3-ethyl-1-thiophen-2-ylpent-3-en-2-one

C11H14OS — CID 103447426

IUPAC(Z)-3-ethyl-1-thiophen-2-ylpent-3-en-2-one
SMILESC/C=C(/CC)C(=O)Cc1cccs1
InChIInChI=1S/C11H14OS/c1-3-9(4-2)11(12)8-10-6-5-7-13-10/h3,5-7H,4,8H2,1-2H3/b9-3-
InChIKeyMZTMZTNANIOAOT-OQFOIZHKSA-N
MW194.30 g/mol
LogP3.22
Rot. Bonds4

About (Z)-3-ethyl-1-thiophen-2-ylpent-3-en-2-one

(Z)-3-ethyl-1-thiophen-2-ylpent-3-en-2-one (PubChem CID 103447426) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is (Z)-3-ethyl-1-thiophen-2-ylpent-3-en-2-one.

Molecular Properties

Compound Name(Z)-3-ethyl-1-thiophen-2-ylpent-3-en-2-one
PubChem CID103447426
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name(Z)-3-ethyl-1-thiophen-2-ylpent-3-en-2-one
SMILESC/C=C(/CC)C(=O)Cc1cccs1
InChIInChI=1S/C11H14OS/c1-3-9(4-2)11(12)8-10-6-5-7-13-10/h3,5-7H,4,8H2,1-2H3/b9-3-
InChIKeyMZTMZTNANIOAOT-OQFOIZHKSA-N
XLogP3.22
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 ≤ 53.22
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

1-thiophen-2-ylhexane-2,4-dione
CID 86201838
benzene;methane;2-thiophen-2-ylacetic acid
CID 70426530
4-thiophen-2-yl-3-(thiophen-2-ylmethyl)but-2-enal
CID 174942230
3-amino-3-methyl-1-thiophen-2-ylbutan-2-one
CID 57051031
1-thiophen-2-ylpentane-2,4-dione
CID 154402079
decyl 2-thiophen-2-ylacetate
CID 566129
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
carbonochloridic acid;2-ethylthiophene
CID 88766829
1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796443
(Z)-4-(2-methylphenyl)-1-thiophen-2-ylbut-3-en-2-one
CID 155128697
methyl (Z)-2-ethyl-4-(1-thiophen-2-ylpropan-2-ylamino)but-2-enoate
CID 103251832
3-amino-3-methyl-1-thiophen-2-ylhexan-2-one
CID 116556957

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethyl-1-thiophen-2-ylpent-3-en-2-one?
The IUPAC name of (Z)-3-ethyl-1-thiophen-2-ylpent-3-en-2-one (CID 103447426) is (Z)-3-ethyl-1-thiophen-2-ylpent-3-en-2-one.
What is the SMILES notation for (Z)-3-ethyl-1-thiophen-2-ylpent-3-en-2-one?
The canonical SMILES for (Z)-3-ethyl-1-thiophen-2-ylpent-3-en-2-one is C/C=C(/CC)C(=O)Cc1cccs1.
What is the InChIKey of (Z)-3-ethyl-1-thiophen-2-ylpent-3-en-2-one?
The InChIKey is MZTMZTNANIOAOT-OQFOIZHKSA-N. The full InChI is InChI=1S/C11H14OS/c1-3-9(4-2)11(12)8-10-6-5-7-13-10/h3,5-7H,4,8H2,1-2H3/b9-3-.
What are the key properties of (Z)-3-ethyl-1-thiophen-2-ylpent-3-en-2-one?
(Z)-3-ethyl-1-thiophen-2-ylpent-3-en-2-one has a molecular weight of 194.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethyl-1-thiophen-2-ylpent-3-en-2-one is sourced from PubChem (CID 103447426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).