2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)acetic acid

C10H12O2S — CID 83907980

IUPAC2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)acetic acid
SMILESCc1cc2c(s1)CCC2CC(=O)O
InChIInChI=1S/C10H12O2S/c1-6-4-8-7(5-10(11)12)2-3-9(8)13-6/h4,7H,2-3,5H2,1H3,(H,11,12)
InChIKeyOMWGWANTGVFUFO-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.56
Rot. Bonds2

About 2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)acetic acid

2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)acetic acid (PubChem CID 83907980) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)acetic acid
PubChem CID83907980
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)acetic acid
SMILESCc1cc2c(s1)CCC2CC(=O)O
InChIInChI=1S/C10H12O2S/c1-6-4-8-7(5-10(11)12)2-3-9(8)13-6/h4,7H,2-3,5H2,1H3,(H,11,12)
InChIKeyOMWGWANTGVFUFO-UHFFFAOYSA-N
XLogP2.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 20763668
2-(5,6-dihydro-4H-cyclopenta[c]thiophen-4-yl)acetic acid
CID 83906666
2-(5,6-dihydro-4H-cyclopenta[c][1,2]thiazol-4-yl)acetic acid
CID 82407160
2-(5,6-dichloro-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 123427549
2-[6-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 105474204
2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)acetic acid
CID 82414343
2-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)acetic acid
CID 82276200
2-[(5R)-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl]acetic acid
CID 93493359
2-(5,6-dihydro-4H-cyclopenta[c][1,2]thiazol-6-yl)acetic acid
CID 82407162
2-[(1S)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 59021811
2-(7-methyl-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 82125541
2-(2-oxo-3,4,5,6-tetrahydrocyclopenta[d][1,3]oxazol-6-yl)acetic acid
CID 83876169

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)acetic acid?
The IUPAC name of 2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)acetic acid (CID 83907980) is 2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)acetic acid is Cc1cc2c(s1)CCC2CC(=O)O.
What is the InChIKey of 2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)acetic acid?
The InChIKey is OMWGWANTGVFUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c1-6-4-8-7(5-10(11)12)2-3-9(8)13-6/h4,7H,2-3,5H2,1H3,(H,11,12).
What are the key properties of 2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)acetic acid?
2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)acetic acid has a molecular weight of 196.27 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)acetic acid is sourced from PubChem (CID 83907980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).