methyl 1-(3-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylate

C11H12ClNO3S — CID 80640905

IUPACmethyl 1-(3-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1sccc1Cl
InChIInChI=1S/C11H12ClNO3S/c1-16-11(15)8-3-2-5-13(8)10(14)9-7(12)4-6-17-9/h4,6,8H,2-3,5H2,1H3
InChIKeyQDCYMEHBVJVPTK-UHFFFAOYSA-N
MW273.74 g/mol
LogP2.18
Rot. Bonds2

About methyl 1-(3-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylate

methyl 1-(3-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 80640905) has the molecular formula C11H12ClNO3S and a molecular weight of 273.74 g/mol. Its IUPAC name is methyl 1-(3-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylate
PubChem CID80640905
Molecular FormulaC11H12ClNO3S
Molecular Weight273.74 g/mol
Exact Mass273.02
IUPAC Namemethyl 1-(3-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1sccc1Cl
InChIInChI=1S/C11H12ClNO3S/c1-16-11(15)8-3-2-5-13(8)10(14)9-7(12)4-6-17-9/h4,6,8H,2-3,5H2,1H3
InChIKeyQDCYMEHBVJVPTK-UHFFFAOYSA-N
XLogP2.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(3-chlorothiophene-2-carbonyl)morpholine-3-carboxylate
CID 104774896
methyl 1-(1,3-thiazole-2-carbonyl)pyrrolidine-2-carboxylate
CID 110486174
methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535683
methyl (2R)-1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535937
methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036
methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 43410027
methyl (2S)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 2337414
methyl 1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 43410150
1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 81117693
methyl 1-(6-chloropyridazine-3-carbonyl)pyrrolidine-2-carboxylate
CID 60859196
methyl 1-(3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 43410173
methyl 1-(5,6-dichloropyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 43388589

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(3-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylate (CID 80640905) is methyl 1-(3-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(3-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1sccc1Cl.
What is the InChIKey of methyl 1-(3-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is QDCYMEHBVJVPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3S/c1-16-11(15)8-3-2-5-13(8)10(14)9-7(12)4-6-17-9/h4,6,8H,2-3,5H2,1H3.
What are the key properties of methyl 1-(3-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(3-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 273.74 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 80640905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).