1-(5-chlorothiophen-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

C11H14ClNOS — CID 82856499

IUPAC1-(5-chlorothiophen-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESOC1(c2ccc(Cl)s2)CCN2CCCC21
InChIInChI=1S/C11H14ClNOS/c12-10-4-3-9(15-10)11(14)5-7-13-6-1-2-8(11)13/h3-4,8,14H,1-2,5-7H2
InChIKeyXYNYZRODGLQZFD-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.46
Rot. Bonds1

About 1-(5-chlorothiophen-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

1-(5-chlorothiophen-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (PubChem CID 82856499) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
PubChem CID82856499
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name1-(5-chlorothiophen-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESOC1(c2ccc(Cl)s2)CCN2CCCC21
InChIInChI=1S/C11H14ClNOS/c12-10-4-3-9(15-10)11(14)5-7-13-6-1-2-8(11)13/h3-4,8,14H,1-2,5-7H2
InChIKeyXYNYZRODGLQZFD-UHFFFAOYSA-N
XLogP2.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (CID 82856499) is 1-(5-chlorothiophen-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is OC1(c2ccc(Cl)s2)CCN2CCCC21.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The InChIKey is XYNYZRODGLQZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c12-10-4-3-9(15-10)11(14)5-7-13-6-1-2-8(11)13/h3-4,8,14H,1-2,5-7H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
1-(5-chlorothiophen-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol has a molecular weight of 243.76 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is sourced from PubChem (CID 82856499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).