1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanone

C11H13ClO2S — CID 107359451

IUPAC1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanone
SMILESCCOC(C(=O)c1sccc1Cl)C1CC1
InChIInChI=1S/C11H13ClO2S/c1-2-14-10(7-3-4-7)9(13)11-8(12)5-6-15-11/h5-7,10H,2-4H2,1H3
InChIKeyPNVTYNWRIVJKPX-UHFFFAOYSA-N
MW244.74 g/mol
LogP3.40
Rot. Bonds5

About 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanone

1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanone (PubChem CID 107359451) has the molecular formula C11H13ClO2S and a molecular weight of 244.74 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanone.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanone
PubChem CID107359451
Molecular FormulaC11H13ClO2S
Molecular Weight244.74 g/mol
Exact Mass244.03
IUPAC Name1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanone
SMILESCCOC(C(=O)c1sccc1Cl)C1CC1
InChIInChI=1S/C11H13ClO2S/c1-2-14-10(7-3-4-7)9(13)11-8(12)5-6-15-11/h5-7,10H,2-4H2,1H3
InChIKeyPNVTYNWRIVJKPX-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanone?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanone (CID 107359451) is 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanone.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanone?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanone is CCOC(C(=O)c1sccc1Cl)C1CC1.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanone?
The InChIKey is PNVTYNWRIVJKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2S/c1-2-14-10(7-3-4-7)9(13)11-8(12)5-6-15-11/h5-7,10H,2-4H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanone?
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanone has a molecular weight of 244.74 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanone is sourced from PubChem (CID 107359451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).