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

C12H16BrNOS — CID 65145454

IUPAC3-[(3-bromothiophen-2-yl)methyl]-1-cyclopropylpyrrolidin-3-ol
SMILESOC1(Cc2sccc2Br)CCN(C2CC2)C1
InChIInChI=1S/C12H16BrNOS/c13-10-3-6-16-11(10)7-12(15)4-5-14(8-12)9-1-2-9/h3,6,9,15H,1-2,4-5,7-8H2
InChIKeyBUNBNNNNMQNCNX-UHFFFAOYSA-N
MW302.24 g/mol
LogP2.65
Rot. Bonds3

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

3-[(3-bromothiophen-2-yl)methyl]-1-cyclopropylpyrrolidin-3-ol (PubChem CID 65145454) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is 3-[(3-bromothiophen-2-yl)methyl]-1-cyclopropylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(3-bromothiophen-2-yl)methyl]-1-cyclopropylpyrrolidin-3-ol
PubChem CID65145454
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC Name3-[(3-bromothiophen-2-yl)methyl]-1-cyclopropylpyrrolidin-3-ol
SMILESOC1(Cc2sccc2Br)CCN(C2CC2)C1
InChIInChI=1S/C12H16BrNOS/c13-10-3-6-16-11(10)7-12(15)4-5-14(8-12)9-1-2-9/h3,6,9,15H,1-2,4-5,7-8H2
InChIKeyBUNBNNNNMQNCNX-UHFFFAOYSA-N
XLogP2.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 52.65
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-cyclopropylpyrrolidin-3-ol?
The IUPAC name of 3-[(3-bromothiophen-2-yl)methyl]-1-cyclopropylpyrrolidin-3-ol (CID 65145454) is 3-[(3-bromothiophen-2-yl)methyl]-1-cyclopropylpyrrolidin-3-ol.
What is the SMILES notation for 3-[(3-bromothiophen-2-yl)methyl]-1-cyclopropylpyrrolidin-3-ol?
The canonical SMILES for 3-[(3-bromothiophen-2-yl)methyl]-1-cyclopropylpyrrolidin-3-ol is OC1(Cc2sccc2Br)CCN(C2CC2)C1.
What is the InChIKey of 3-[(3-bromothiophen-2-yl)methyl]-1-cyclopropylpyrrolidin-3-ol?
The InChIKey is BUNBNNNNMQNCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS/c13-10-3-6-16-11(10)7-12(15)4-5-14(8-12)9-1-2-9/h3,6,9,15H,1-2,4-5,7-8H2.
What are the key properties of 3-[(3-bromothiophen-2-yl)methyl]-1-cyclopropylpyrrolidin-3-ol?
3-[(3-bromothiophen-2-yl)methyl]-1-cyclopropylpyrrolidin-3-ol has a molecular weight of 302.24 g/mol, XLogP of 2.65, 3 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-cyclopropylpyrrolidin-3-ol is sourced from PubChem (CID 65145454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).