3-chloro-1-cyclohexyl-4-thiophen-2-ylpyrrole-2,5-dione

C14H14ClNO2S — CID 110583044

IUPAC3-chloro-1-cyclohexyl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESO=C1C(Cl)=C(c2cccs2)C(=O)N1C1CCCCC1
InChIInChI=1S/C14H14ClNO2S/c15-12-11(10-7-4-8-19-10)13(17)16(14(12)18)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChIKeyPHBXRCJKWUGOTD-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.40
Rot. Bonds2

About 3-chloro-1-cyclohexyl-4-thiophen-2-ylpyrrole-2,5-dione

3-chloro-1-cyclohexyl-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110583044) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is 3-chloro-1-cyclohexyl-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-cyclohexyl-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110583044
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name3-chloro-1-cyclohexyl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESO=C1C(Cl)=C(c2cccs2)C(=O)N1C1CCCCC1
InChIInChI=1S/C14H14ClNO2S/c15-12-11(10-7-4-8-19-10)13(17)16(14(12)18)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChIKeyPHBXRCJKWUGOTD-UHFFFAOYSA-N
XLogP3.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-cyclohexyl-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-cyclohexyl-4-thiophen-2-ylpyrrole-2,5-dione (CID 110583044) is 3-chloro-1-cyclohexyl-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-cyclohexyl-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-cyclohexyl-4-thiophen-2-ylpyrrole-2,5-dione is O=C1C(Cl)=C(c2cccs2)C(=O)N1C1CCCCC1.
What is the InChIKey of 3-chloro-1-cyclohexyl-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is PHBXRCJKWUGOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c15-12-11(10-7-4-8-19-10)13(17)16(14(12)18)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2.
What are the key properties of 3-chloro-1-cyclohexyl-4-thiophen-2-ylpyrrole-2,5-dione?
3-chloro-1-cyclohexyl-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 295.79 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-cyclohexyl-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110583044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).