5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one

C10H10O2S — CID 70682563

IUPAC5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one
SMILESCC1=CCC(c2cccs2)OC1=O
InChIInChI=1S/C10H10O2S/c1-7-4-5-8(12-10(7)11)9-3-2-6-13-9/h2-4,6,8H,5H2,1H3
InChIKeyCFXOVVZNXHIJKI-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.68
Rot. Bonds1

About 5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one

5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one (PubChem CID 70682563) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one
PubChem CID70682563
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one
SMILESCC1=CCC(c2cccs2)OC1=O
InChIInChI=1S/C10H10O2S/c1-7-4-5-8(12-10(7)11)9-3-2-6-13-9/h2-4,6,8H,5H2,1H3
InChIKeyCFXOVVZNXHIJKI-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-thenoate
CID 76052
5-Phenyl-3-thiophen-2-ylmethylene-3H-furan-2-one
CID 2251647
Butyl 2-thenoate
CID 91997
Icosa-5,8,11,14-tetraenoic acid thiophen-2-ylmethyl ester
CID 10294441
Ethyl 2-methylthiophene-3-carboxylate
CID 10464736
2-Thiophenecarboxylic acid, propyl ester
CID 573763
2-Thiophenecarboxylic acid, dodecyl ester
CID 573797
Tert-butyl 5-formylthiophene-2-carboxylate
CID 21473735
2-Thiophen-3-yl-2,3-dihydropyran-6-one
CID 56658041
2-Thiophen-2-yl-2,3-dihydropyran-6-one
CID 56665230
(2S)-5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one
CID 70682562
(2R)-2-thiophen-2-yl-2,3-dihydropyran-6-one
CID 70684646

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one?
The IUPAC name of 5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one (CID 70682563) is 5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one.
What is the SMILES notation for 5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one?
The canonical SMILES for 5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one is CC1=CCC(c2cccs2)OC1=O.
What is the InChIKey of 5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one?
The InChIKey is CFXOVVZNXHIJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c1-7-4-5-8(12-10(7)11)9-3-2-6-13-9/h2-4,6,8H,5H2,1H3.
What are the key properties of 5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one?
5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one has a molecular weight of 194.25 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one is sourced from PubChem (CID 70682563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).