5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one

C11H16OS — CID 102472315

IUPAC5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one
SMILESCCCC1CC(=O)C2=C1CCCS2
InChIInChI=1S/C11H16OS/c1-2-4-8-7-10(12)11-9(8)5-3-6-13-11/h8H,2-7H2,1H3
InChIKeyWNAHNRNRMDLZSD-UHFFFAOYSA-N
MW196.31 g/mol
LogP3.16
Rot. Bonds2

About 5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one

5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one (PubChem CID 102472315) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one.

Molecular Properties

Compound Name5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one
PubChem CID102472315
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one
SMILESCCCC1CC(=O)C2=C1CCCS2
InChIInChI=1S/C11H16OS/c1-2-4-8-7-10(12)11-9(8)5-3-6-13-11/h8H,2-7H2,1H3
InChIKeyWNAHNRNRMDLZSD-UHFFFAOYSA-N
XLogP3.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-(Methylthio)-butyryl)-2,6,6-trimethylcyclohexene
CID 20332432
2-Butanoyl-3-ethylsulfanyl-5,5-dimethylcyclohex-2-en-1-one
CID 788397
5-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one
CID 101472978
6,6-bis(ethylsulfanyl)-2,3,7,7a-tetrahydro-1H-inden-5-one
CID 14386761
7,7-Dimethyl-2,3,4,6-tetrahydrocyclopenta[b]thiopyran-5-one
CID 85740144
9,9-Dimethyl-2,3,4,5,6,8-hexahydrocyclopenta[b]thiocin-7-one
CID 85740149
3-Methyl-2-methylsulfanyl-6-propan-2-ylidenecyclohexan-1-one
CID 85819918
Ethylthiocarvone
CID 129763983
4-Methyl-1-methylthio-methyl-7-thiabicyclo[3.3.1]non-3-en-2-one
CID 129796528
2,3-Dimethyl-5-(1-(methylthio)propan-2-yl)cyclohex-2-en-1-one
CID 134128400
3,6,7,7a-tetrahydro-1H-2-benzothiophen-5-one
CID 134863553
(3aS,7aS)-7a-fluoro-2-methyl-3-methylsulfanyl-4,5,6,7-tetrahydro-3aH-inden-1-one
CID 11117406

Frequently Asked Questions

What is the IUPAC name of 5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one?
The IUPAC name of 5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one (CID 102472315) is 5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one.
What is the SMILES notation for 5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one?
The canonical SMILES for 5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one is CCCC1CC(=O)C2=C1CCCS2.
What is the InChIKey of 5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one?
The InChIKey is WNAHNRNRMDLZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-2-4-8-7-10(12)11-9(8)5-3-6-13-11/h8H,2-7H2,1H3.
What are the key properties of 5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one?
5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one has a molecular weight of 196.31 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one is sourced from PubChem (CID 102472315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).