1-(cyclohepten-1-yl)-2-thiophen-2-ylethanone

C13H16OS — CID 103450496

IUPAC1-(cyclohepten-1-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)C1=CCCCCC1
InChIInChI=1S/C13H16OS/c14-13(10-12-8-5-9-15-12)11-6-3-1-2-4-7-11/h5-6,8-9H,1-4,7,10H2
InChIKeyUNHBGEQMOSOTGP-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.75
Rot. Bonds3

About 1-(cyclohepten-1-yl)-2-thiophen-2-ylethanone

1-(cyclohepten-1-yl)-2-thiophen-2-ylethanone (PubChem CID 103450496) has the molecular formula C13H16OS and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-thiophen-2-ylethanone
PubChem CID103450496
Molecular FormulaC13H16OS
Molecular Weight220.34 g/mol
Exact Mass220.09
IUPAC Name1-(cyclohepten-1-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)C1=CCCCCC1
InChIInChI=1S/C13H16OS/c14-13(10-12-8-5-9-15-12)11-6-3-1-2-4-7-11/h5-6,8-9H,1-4,7,10H2
InChIKeyUNHBGEQMOSOTGP-UHFFFAOYSA-N
XLogP3.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone
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1-[(1E)-cycloocten-1-yl]-2-thiophen-2-ylethanol
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1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one
CID 106656000
1-cyclohexyl-2-thiophen-2-ylethanone
CID 61056881
1-(cyclohexen-1-yl)-3-thiophen-2-ylpropan-2-ol
CID 116660106
1-(cyclohepten-1-yl)-2-(1-methylpyrazol-3-yl)ethanone
CID 103450602
cyclohexen-1-yl-(2-methylthiophen-3-yl)methanone
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1-(5-methylfuran-2-yl)-2-thiophen-2-ylethanone
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benzene;methane;2-thiophen-2-ylacetic acid
CID 70426530

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(cyclohepten-1-yl)-2-thiophen-2-ylethanone (CID 103450496) is 1-(cyclohepten-1-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-thiophen-2-ylethanone is O=C(Cc1cccs1)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-thiophen-2-ylethanone?
The InChIKey is UNHBGEQMOSOTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16OS/c14-13(10-12-8-5-9-15-12)11-6-3-1-2-4-7-11/h5-6,8-9H,1-4,7,10H2.
What are the key properties of 1-(cyclohepten-1-yl)-2-thiophen-2-ylethanone?
1-(cyclohepten-1-yl)-2-thiophen-2-ylethanone has a molecular weight of 220.34 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 103450496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).