cis-(1R,2S)-2-(5-acetylthiophen-2-yl)cyclopropane-1-carboxylic acid

C10H10O3S — CID 146201487

IUPACcis-(1R,2S)-2-(5-acetylthiophen-2-yl)cyclopropane-1-carboxylic acid
SMILESCC(=O)c1ccc([C@H]2C[C@H]2C(=O)O)s1
InChIInChI=1S/C10H10O3S/c1-5(11)8-2-3-9(14-8)6-4-7(6)10(12)13/h2-3,6-7H,4H2,1H3,(H,12,13)/t6-,7+/m0/s1
InChIKeyWKDICIZCXJCTAB-NKWVEPMBSA-N
MW210.25 g/mol
LogP2.14
Rot. Bonds3

About cis-(1R,2S)-2-(5-acetylthiophen-2-yl)cyclopropane-1-carboxylic acid

cis-(1R,2S)-2-(5-acetylthiophen-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 146201487) has the molecular formula C10H10O3S and a molecular weight of 210.25 g/mol. Its IUPAC name is cis-(1R,2S)-2-(5-acetylthiophen-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(5-acetylthiophen-2-yl)cyclopropane-1-carboxylic acid
PubChem CID146201487
Molecular FormulaC10H10O3S
Molecular Weight210.25 g/mol
Exact Mass210.04
IUPAC Namecis-(1R,2S)-2-(5-acetylthiophen-2-yl)cyclopropane-1-carboxylic acid
SMILESCC(=O)c1ccc([C@H]2C[C@H]2C(=O)O)s1
InChIInChI=1S/C10H10O3S/c1-5(11)8-2-3-9(14-8)6-4-7(6)10(12)13/h2-3,6-7H,4H2,1H3,(H,12,13)/t6-,7+/m0/s1
InChIKeyWKDICIZCXJCTAB-NKWVEPMBSA-N
XLogP2.14
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(5-acetylthiophen-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(5-acetylthiophen-2-yl)cyclopropane-1-carboxylic acid (CID 146201487) is cis-(1R,2S)-2-(5-acetylthiophen-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(5-acetylthiophen-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(5-acetylthiophen-2-yl)cyclopropane-1-carboxylic acid is CC(=O)c1ccc([C@H]2C[C@H]2C(=O)O)s1.
What is the InChIKey of cis-(1R,2S)-2-(5-acetylthiophen-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is WKDICIZCXJCTAB-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H10O3S/c1-5(11)8-2-3-9(14-8)6-4-7(6)10(12)13/h2-3,6-7H,4H2,1H3,(H,12,13)/t6-,7+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(5-acetylthiophen-2-yl)cyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-(5-acetylthiophen-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 210.25 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(5-acetylthiophen-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 146201487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).