[(1S,2R)-2-methyl-2-[(E)-2-thiophen-2-ylethenyl]cyclopentyl]-phenylmethanone

C19H20OS — CID 24970834

IUPAC[(1S,2R)-2-methyl-2-[(E)-2-thiophen-2-ylethenyl]cyclopentyl]-phenylmethanone
SMILESC[C@]1(/C=C/c2cccs2)CCC[C@@H]1C(=O)c1ccccc1
InChIInChI=1S/C19H20OS/c1-19(13-11-16-9-6-14-21-16)12-5-10-17(19)18(20)15-7-3-2-4-8-15/h2-4,6-9,11,13-14,17H,5,10,12H2,1H3/b13-11+/t17-,19-/m1/s1
InChIKeyKZSDCSVQCQTEPS-ASLVEYIASA-N
MW296.44 g/mol
LogP5.45
Rot. Bonds4

About [(1S,2R)-2-methyl-2-[(E)-2-thiophen-2-ylethenyl]cyclopentyl]-phenylmethanone

[(1S,2R)-2-methyl-2-[(E)-2-thiophen-2-ylethenyl]cyclopentyl]-phenylmethanone (PubChem CID 24970834) has the molecular formula C19H20OS and a molecular weight of 296.44 g/mol. Its IUPAC name is [(1S,2R)-2-methyl-2-[(E)-2-thiophen-2-ylethenyl]cyclopentyl]-phenylmethanone.

Molecular Properties

Compound Name[(1S,2R)-2-methyl-2-[(E)-2-thiophen-2-ylethenyl]cyclopentyl]-phenylmethanone
PubChem CID24970834
Molecular FormulaC19H20OS
Molecular Weight296.44 g/mol
Exact Mass296.12
IUPAC Name[(1S,2R)-2-methyl-2-[(E)-2-thiophen-2-ylethenyl]cyclopentyl]-phenylmethanone
SMILESC[C@]1(/C=C/c2cccs2)CCC[C@@H]1C(=O)c1ccccc1
InChIInChI=1S/C19H20OS/c1-19(13-11-16-9-6-14-21-16)12-5-10-17(19)18(20)15-7-3-2-4-8-15/h2-4,6-9,11,13-14,17H,5,10,12H2,1H3/b13-11+/t17-,19-/m1/s1
InChIKeyKZSDCSVQCQTEPS-ASLVEYIASA-N
XLogP5.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.44
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-methyl-2-[(E)-2-thiophen-2-ylethenyl]cyclopentyl]-phenylmethanone?
The IUPAC name of [(1S,2R)-2-methyl-2-[(E)-2-thiophen-2-ylethenyl]cyclopentyl]-phenylmethanone (CID 24970834) is [(1S,2R)-2-methyl-2-[(E)-2-thiophen-2-ylethenyl]cyclopentyl]-phenylmethanone.
What is the SMILES notation for [(1S,2R)-2-methyl-2-[(E)-2-thiophen-2-ylethenyl]cyclopentyl]-phenylmethanone?
The canonical SMILES for [(1S,2R)-2-methyl-2-[(E)-2-thiophen-2-ylethenyl]cyclopentyl]-phenylmethanone is C[C@]1(/C=C/c2cccs2)CCC[C@@H]1C(=O)c1ccccc1.
What is the InChIKey of [(1S,2R)-2-methyl-2-[(E)-2-thiophen-2-ylethenyl]cyclopentyl]-phenylmethanone?
The InChIKey is KZSDCSVQCQTEPS-ASLVEYIASA-N. The full InChI is InChI=1S/C19H20OS/c1-19(13-11-16-9-6-14-21-16)12-5-10-17(19)18(20)15-7-3-2-4-8-15/h2-4,6-9,11,13-14,17H,5,10,12H2,1H3/b13-11+/t17-,19-/m1/s1.
What are the key properties of [(1S,2R)-2-methyl-2-[(E)-2-thiophen-2-ylethenyl]cyclopentyl]-phenylmethanone?
[(1S,2R)-2-methyl-2-[(E)-2-thiophen-2-ylethenyl]cyclopentyl]-phenylmethanone has a molecular weight of 296.44 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-methyl-2-[(E)-2-thiophen-2-ylethenyl]cyclopentyl]-phenylmethanone is sourced from PubChem (CID 24970834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).