(E)-1-thiophen-3-ylhept-4-en-3-one

C11H14OS — CID 103454342

IUPAC(E)-1-thiophen-3-ylhept-4-en-3-one
SMILESCC/C=C/C(=O)CCc1ccsc1
InChIInChI=1S/C11H14OS/c1-2-3-4-11(12)6-5-10-7-8-13-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3+
InChIKeyAQSACIOCQAIIRQ-ONEGZZNKSA-N
MW194.30 g/mol
LogP3.22
Rot. Bonds5

About (E)-1-thiophen-3-ylhept-4-en-3-one

(E)-1-thiophen-3-ylhept-4-en-3-one (PubChem CID 103454342) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is (E)-1-thiophen-3-ylhept-4-en-3-one.

Molecular Properties

Compound Name(E)-1-thiophen-3-ylhept-4-en-3-one
PubChem CID103454342
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name(E)-1-thiophen-3-ylhept-4-en-3-one
SMILESCC/C=C/C(=O)CCc1ccsc1
InChIInChI=1S/C11H14OS/c1-2-3-4-11(12)6-5-10-7-8-13-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3+
InChIKeyAQSACIOCQAIIRQ-ONEGZZNKSA-N
XLogP3.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

4-methyl-1-thiophen-3-ylheptan-3-one
CID 114972135
3-(3-methylidenepentyl)thiophene
CID 143047550
4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one
CID 79061299
1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one
CID 114972087
azane;3-propylthiophene
CID 174446539
4-ethoxy-5-methyl-1-thiophen-3-ylhexan-3-one
CID 116708679
N-butyl-N-ethyl-3-thiophen-3-ylpropanamide
CID 86978752
5-thiophen-3-ylpentanamide
CID 11171370
4-thiophen-3-ylbutanoate
CID 86324435
1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-one
CID 114972116
(2S)-2-(3-thiophen-3-ylpropanoylamino)pentanoic acid
CID 99851728
3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide
CID 33034707

Frequently Asked Questions

What is the IUPAC name of (E)-1-thiophen-3-ylhept-4-en-3-one?
The IUPAC name of (E)-1-thiophen-3-ylhept-4-en-3-one (CID 103454342) is (E)-1-thiophen-3-ylhept-4-en-3-one.
What is the SMILES notation for (E)-1-thiophen-3-ylhept-4-en-3-one?
The canonical SMILES for (E)-1-thiophen-3-ylhept-4-en-3-one is CC/C=C/C(=O)CCc1ccsc1.
What is the InChIKey of (E)-1-thiophen-3-ylhept-4-en-3-one?
The InChIKey is AQSACIOCQAIIRQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14OS/c1-2-3-4-11(12)6-5-10-7-8-13-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3+.
What are the key properties of (E)-1-thiophen-3-ylhept-4-en-3-one?
(E)-1-thiophen-3-ylhept-4-en-3-one has a molecular weight of 194.30 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-thiophen-3-ylhept-4-en-3-one is sourced from PubChem (CID 103454342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).