methyl 2-(5-bromothiophen-2-yl)pyrrolidine-2-carboxylate

C10H12BrNO2S — CID 115103355

IUPACmethyl 2-(5-bromothiophen-2-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1(c2ccc(Br)s2)CCCN1
InChIInChI=1S/C10H12BrNO2S/c1-14-9(13)10(5-2-6-12-10)7-3-4-8(11)15-7/h3-4,12H,2,5-6H2,1H3
InChIKeyOOWSCKSESXXXSO-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.26
Rot. Bonds2

About methyl 2-(5-bromothiophen-2-yl)pyrrolidine-2-carboxylate

methyl 2-(5-bromothiophen-2-yl)pyrrolidine-2-carboxylate (PubChem CID 115103355) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is methyl 2-(5-bromothiophen-2-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-bromothiophen-2-yl)pyrrolidine-2-carboxylate
PubChem CID115103355
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Namemethyl 2-(5-bromothiophen-2-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1(c2ccc(Br)s2)CCCN1
InChIInChI=1S/C10H12BrNO2S/c1-14-9(13)10(5-2-6-12-10)7-3-4-8(11)15-7/h3-4,12H,2,5-6H2,1H3
InChIKeyOOWSCKSESXXXSO-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-bromothiophen-2-yl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 2-(5-bromothiophen-2-yl)pyrrolidine-2-carboxylate (CID 115103355) is methyl 2-(5-bromothiophen-2-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 2-(5-bromothiophen-2-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 2-(5-bromothiophen-2-yl)pyrrolidine-2-carboxylate is COC(=O)C1(c2ccc(Br)s2)CCCN1.
What is the InChIKey of methyl 2-(5-bromothiophen-2-yl)pyrrolidine-2-carboxylate?
The InChIKey is OOWSCKSESXXXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-14-9(13)10(5-2-6-12-10)7-3-4-8(11)15-7/h3-4,12H,2,5-6H2,1H3.
What are the key properties of methyl 2-(5-bromothiophen-2-yl)pyrrolidine-2-carboxylate?
methyl 2-(5-bromothiophen-2-yl)pyrrolidine-2-carboxylate has a molecular weight of 290.18 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-bromothiophen-2-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 115103355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).