3-cyclopropylsulfanylcyclopentan-1-one

C8H12OS — CID 58370066

IUPAC3-cyclopropylsulfanylcyclopentan-1-one
SMILESO=C1CCC(SC2CC2)C1
InChIInChI=1S/C8H12OS/c9-6-1-2-8(5-6)10-7-3-4-7/h7-8H,1-5H2
InChIKeyUDDUPTBSCKLDNK-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.00
Rot. Bonds2

About 3-cyclopropylsulfanylcyclopentan-1-one

3-cyclopropylsulfanylcyclopentan-1-one (PubChem CID 58370066) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 3-cyclopropylsulfanylcyclopentan-1-one.

Molecular Properties

Compound Name3-cyclopropylsulfanylcyclopentan-1-one
PubChem CID58370066
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name3-cyclopropylsulfanylcyclopentan-1-one
SMILESO=C1CCC(SC2CC2)C1
InChIInChI=1S/C8H12OS/c9-6-1-2-8(5-6)10-7-3-4-7/h7-8H,1-5H2
InChIKeyUDDUPTBSCKLDNK-UHFFFAOYSA-N
XLogP2.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylsulfanylcyclopentan-1-one?
The IUPAC name of 3-cyclopropylsulfanylcyclopentan-1-one (CID 58370066) is 3-cyclopropylsulfanylcyclopentan-1-one.
What is the SMILES notation for 3-cyclopropylsulfanylcyclopentan-1-one?
The canonical SMILES for 3-cyclopropylsulfanylcyclopentan-1-one is O=C1CCC(SC2CC2)C1.
What is the InChIKey of 3-cyclopropylsulfanylcyclopentan-1-one?
The InChIKey is UDDUPTBSCKLDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c9-6-1-2-8(5-6)10-7-3-4-7/h7-8H,1-5H2.
What are the key properties of 3-cyclopropylsulfanylcyclopentan-1-one?
3-cyclopropylsulfanylcyclopentan-1-one has a molecular weight of 156.25 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylsulfanylcyclopentan-1-one is sourced from PubChem (CID 58370066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).