1-(2-methyloxolan-3-yl)-2-thiophen-2-ylethanone

C11H14O2S — CID 79758315

IUPAC1-(2-methyloxolan-3-yl)-2-thiophen-2-ylethanone
SMILESCC1OCCC1C(=O)Cc1cccs1
InChIInChI=1S/C11H14O2S/c1-8-10(4-5-13-8)11(12)7-9-3-2-6-14-9/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeyVREJMYZSHZFBKM-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.28
Rot. Bonds3

About 1-(2-methyloxolan-3-yl)-2-thiophen-2-ylethanone

1-(2-methyloxolan-3-yl)-2-thiophen-2-ylethanone (PubChem CID 79758315) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(2-methyloxolan-3-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(2-methyloxolan-3-yl)-2-thiophen-2-ylethanone
PubChem CID79758315
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name1-(2-methyloxolan-3-yl)-2-thiophen-2-ylethanone
SMILESCC1OCCC1C(=O)Cc1cccs1
InChIInChI=1S/C11H14O2S/c1-8-10(4-5-13-8)11(12)7-9-3-2-6-14-9/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeyVREJMYZSHZFBKM-UHFFFAOYSA-N
XLogP2.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-methyloxolan-3-yl)-2-thiophen-2-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone
CID 116592024
1-cyclohexyl-2-thiophen-2-ylethanone
CID 61056881
2-(2,5-dimethylphenyl)-1-(2-methyloxolan-3-yl)ethanone
CID 79759578
1-(1,4-dioxan-2-yl)-2-thiophen-2-ylethanone
CID 62805632
1-(2,2,3,3-tetramethylcyclopropyl)-2-thiophen-2-ylethanone
CID 66476524
2-(1,3-benzoxazol-2-yl)-1-(2-methyloxolan-3-yl)ethanone
CID 79757794
2-(2-chloro-4-methylphenyl)-1-(2-methyloxolan-3-yl)ethanone
CID 106865766
2-methyl-3-(thiophen-2-ylmethylsulfanyl)oxolane
CID 127000169
1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanone
CID 107179308
N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-2-ylacetamide
CID 91766795
(2S,3R)-2-methyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine
CID 97358153
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanone
CID 1093249

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxolan-3-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(2-methyloxolan-3-yl)-2-thiophen-2-ylethanone (CID 79758315) is 1-(2-methyloxolan-3-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(2-methyloxolan-3-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(2-methyloxolan-3-yl)-2-thiophen-2-ylethanone is CC1OCCC1C(=O)Cc1cccs1.
What is the InChIKey of 1-(2-methyloxolan-3-yl)-2-thiophen-2-ylethanone?
The InChIKey is VREJMYZSHZFBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-8-10(4-5-13-8)11(12)7-9-3-2-6-14-9/h2-3,6,8,10H,4-5,7H2,1H3.
What are the key properties of 1-(2-methyloxolan-3-yl)-2-thiophen-2-ylethanone?
1-(2-methyloxolan-3-yl)-2-thiophen-2-ylethanone has a molecular weight of 210.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxolan-3-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 79758315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).