1-cyclopentylpropan-2-one;thiophene

C12H18OS — CID 174397115

IUPAC1-cyclopentylpropan-2-one;thiophene
SMILESCC(=O)CC1CCCC1.c1ccsc1
InChIInChI=1S/C8H14O.C4H4S/c1-7(9)6-8-4-2-3-5-8;1-2-4-5-3-1/h8H,2-6H2,1H3;1-4H
InChIKeyWSSBFNPLCJAOJX-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.90
Rot. Bonds2

About 1-cyclopentylpropan-2-one;thiophene

1-cyclopentylpropan-2-one;thiophene (PubChem CID 174397115) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 1-cyclopentylpropan-2-one;thiophene.

Molecular Properties

Compound Name1-cyclopentylpropan-2-one;thiophene
PubChem CID174397115
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name1-cyclopentylpropan-2-one;thiophene
SMILESCC(=O)CC1CCCC1.c1ccsc1
InChIInChI=1S/C8H14O.C4H4S/c1-7(9)6-8-4-2-3-5-8;1-2-4-5-3-1/h8H,2-6H2,1H3;1-4H
InChIKeyWSSBFNPLCJAOJX-UHFFFAOYSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylpropan-2-one;thiophene?
The IUPAC name of 1-cyclopentylpropan-2-one;thiophene (CID 174397115) is 1-cyclopentylpropan-2-one;thiophene.
What is the SMILES notation for 1-cyclopentylpropan-2-one;thiophene?
The canonical SMILES for 1-cyclopentylpropan-2-one;thiophene is CC(=O)CC1CCCC1.c1ccsc1.
What is the InChIKey of 1-cyclopentylpropan-2-one;thiophene?
The InChIKey is WSSBFNPLCJAOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.C4H4S/c1-7(9)6-8-4-2-3-5-8;1-2-4-5-3-1/h8H,2-6H2,1H3;1-4H.
What are the key properties of 1-cyclopentylpropan-2-one;thiophene?
1-cyclopentylpropan-2-one;thiophene has a molecular weight of 210.34 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylpropan-2-one;thiophene is sourced from PubChem (CID 174397115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).