3-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol

C10H14BrNOS — CID 65145503

IUPAC3-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(Cc2sccc2Br)C1
InChIInChI=1S/C10H14BrNOS/c1-12-4-3-10(13,7-12)6-9-8(11)2-5-14-9/h2,5,13H,3-4,6-7H2,1H3
InChIKeyOBCGDCVWSVZTEQ-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.12
Rot. Bonds2

About 3-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol

3-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol (PubChem CID 65145503) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 3-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol
PubChem CID65145503
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name3-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(Cc2sccc2Br)C1
InChIInChI=1S/C10H14BrNOS/c1-12-4-3-10(13,7-12)6-9-8(11)2-5-14-9/h2,5,13H,3-4,6-7H2,1H3
InChIKeyOBCGDCVWSVZTEQ-UHFFFAOYSA-N
XLogP2.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol (CID 65145503) is 3-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol is CN1CCC(O)(Cc2sccc2Br)C1.
What is the InChIKey of 3-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol?
The InChIKey is OBCGDCVWSVZTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-12-4-3-10(13,7-12)6-9-8(11)2-5-14-9/h2,5,13H,3-4,6-7H2,1H3.
What are the key properties of 3-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol?
3-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol has a molecular weight of 276.20 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 65145503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).