methyl 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylate

C11H14ClNO2S — CID 55134425

IUPACmethyl 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Cc1ccc(Cl)s1
InChIInChI=1S/C11H14ClNO2S/c1-15-11(14)9-3-2-6-13(9)7-8-4-5-10(12)16-8/h4-5,9H,2-3,6-7H2,1H3
InChIKeyWFUTUIOXIWBDKW-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.54
Rot. Bonds3

About methyl 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylate

methyl 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylate (PubChem CID 55134425) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is methyl 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylate
PubChem CID55134425
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Namemethyl 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Cc1ccc(Cl)s1
InChIInChI=1S/C11H14ClNO2S/c1-15-11(14)9-3-2-6-13(9)7-8-4-5-10(12)16-8/h4-5,9H,2-3,6-7H2,1H3
InChIKeyWFUTUIOXIWBDKW-UHFFFAOYSA-N
XLogP2.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,4S)-1-[(5-chlorothiophen-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 71850550
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl (2S,3aR,7aR)-1-[(5-chlorothiophen-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 124740023
methyl 1-[(4-bromophenyl)methyl]pyrrolidine-2-carboxylate
CID 62028427
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate
CID 26343664
methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate
CID 79771450
methyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate
CID 78992339
1-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47424733
5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 45192185
methyl (2S)-1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-2-carboxylate
CID 30980101
methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate
CID 115371320

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylate (CID 55134425) is methyl 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1Cc1ccc(Cl)s1.
What is the InChIKey of methyl 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is WFUTUIOXIWBDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-15-11(14)9-3-2-6-13(9)7-8-4-5-10(12)16-8/h4-5,9H,2-3,6-7H2,1H3.
What are the key properties of methyl 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylate?
methyl 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 259.76 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 55134425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).