methyl 2-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylate

C10H9ClO3S — CID 10060402

IUPACmethyl 2-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H9ClO3S/c1-14-10(13)6-4-5(6)9(12)7-2-3-8(11)15-7/h2-3,5-6H,4H2,1H3
InChIKeyIHAYXHPDDPXWCZ-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.39
Rot. Bonds3

About methyl 2-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylate

methyl 2-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylate (PubChem CID 10060402) has the molecular formula C10H9ClO3S and a molecular weight of 244.70 g/mol. Its IUPAC name is methyl 2-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylate
PubChem CID10060402
Molecular FormulaC10H9ClO3S
Molecular Weight244.70 g/mol
Exact Mass244.00
IUPAC Namemethyl 2-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H9ClO3S/c1-14-10(13)6-4-5(6)9(12)7-2-3-8(11)15-7/h2-3,5-6H,4H2,1H3
InChIKeyIHAYXHPDDPXWCZ-UHFFFAOYSA-N
XLogP2.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylate (CID 10060402) is methyl 2-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylate is COC(=O)C1CC1C(=O)c1ccc(Cl)s1.
What is the InChIKey of methyl 2-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylate?
The InChIKey is IHAYXHPDDPXWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3S/c1-14-10(13)6-4-5(6)9(12)7-2-3-8(11)15-7/h2-3,5-6H,4H2,1H3.
What are the key properties of methyl 2-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylate?
methyl 2-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylate has a molecular weight of 244.70 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 10060402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).