2-(3-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylic acid

C9H7ClO3S — CID 22939230

IUPAC2-(3-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)c1sccc1Cl
InChIInChI=1S/C9H7ClO3S/c10-6-1-2-14-8(6)7(11)4-3-5(4)9(12)13/h1-2,4-5H,3H2,(H,12,13)
InChIKeyBQGPEAVBGKZZEF-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.30
Rot. Bonds3

About 2-(3-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylic acid

2-(3-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 22939230) has the molecular formula C9H7ClO3S and a molecular weight of 230.67 g/mol. Its IUPAC name is 2-(3-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID22939230
Molecular FormulaC9H7ClO3S
Molecular Weight230.67 g/mol
Exact Mass229.98
IUPAC Name2-(3-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)c1sccc1Cl
InChIInChI=1S/C9H7ClO3S/c10-6-1-2-14-8(6)7(11)4-3-5(4)9(12)13/h1-2,4-5H,3H2,(H,12,13)
InChIKeyBQGPEAVBGKZZEF-UHFFFAOYSA-N
XLogP2.30
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(3-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylic acid (CID 22939230) is 2-(3-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(3-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(3-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)c1sccc1Cl.
What is the InChIKey of 2-(3-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is BQGPEAVBGKZZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO3S/c10-6-1-2-14-8(6)7(11)4-3-5(4)9(12)13/h1-2,4-5H,3H2,(H,12,13).
What are the key properties of 2-(3-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylic acid?
2-(3-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 230.67 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 22939230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).