6-(5-methylthiophen-2-yl)-7-phenyl-2,3-dihydro-1H-pyrrolizine

C18H17NS — CID 10869663

IUPAC6-(5-methylthiophen-2-yl)-7-phenyl-2,3-dihydro-1H-pyrrolizine
SMILESCc1ccc(-c2cn3c(c2-c2ccccc2)CCC3)s1
InChIInChI=1S/C18H17NS/c1-13-9-10-17(20-13)15-12-19-11-5-8-16(19)18(15)14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3
InChIKeyWLFZBSPRIAGXCC-UHFFFAOYSA-N
MW279.41 g/mol
LogP5.14
Rot. Bonds2

About 6-(5-methylthiophen-2-yl)-7-phenyl-2,3-dihydro-1H-pyrrolizine

6-(5-methylthiophen-2-yl)-7-phenyl-2,3-dihydro-1H-pyrrolizine (PubChem CID 10869663) has the molecular formula C18H17NS and a molecular weight of 279.41 g/mol. Its IUPAC name is 6-(5-methylthiophen-2-yl)-7-phenyl-2,3-dihydro-1H-pyrrolizine.

Molecular Properties

Compound Name6-(5-methylthiophen-2-yl)-7-phenyl-2,3-dihydro-1H-pyrrolizine
PubChem CID10869663
Molecular FormulaC18H17NS
Molecular Weight279.41 g/mol
Exact Mass279.11
IUPAC Name6-(5-methylthiophen-2-yl)-7-phenyl-2,3-dihydro-1H-pyrrolizine
SMILESCc1ccc(-c2cn3c(c2-c2ccccc2)CCC3)s1
InChIInChI=1S/C18H17NS/c1-13-9-10-17(20-13)15-12-19-11-5-8-16(19)18(15)14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3
InChIKeyWLFZBSPRIAGXCC-UHFFFAOYSA-N
XLogP5.14
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.41
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-Diphenyl-2,3-dihydro-1H-pyrrolizine
CID 155766
1-methyl-3-[(1-methyl-1H-indol-3-yl)(thien-2-yl)methyl]-1H-indole
CID 5087383
(-)-(R)-2-(1-(2-(2-(pyrrolidin-1-yl)ethyl)benzo[b]thiophen-3-yl)ethyl)pyridine
CID 11508317
N-benzyl-N-methyl-2-[(3-methylthieno[2,3-b]pyrrolizin-8-ylidene)amino]oxyethanamine
CID 44360164
N-benzyl-N-methyl-2-(thieno[2,3-b]pyrrolizin-8-ylideneamino)oxyethanamine
CID 44360218
N-benzyl-N-methyl-3-[(3-methylthieno[2,3-b]pyrrolizin-8-ylidene)amino]oxypropan-1-amine
CID 44360669
1-methyl-2-[(E)-2-(4-phenylthiophen-2-yl)ethenyl]pyridin-1-ium iodide
CID 46906798
7-(4-methylphenyl)-6-(4-methylsulfonylphenyl)-2,3-dihydro-1H-pyrrolizine
CID 9998086
1-methyl-2-[(E)-2-(5-phenylthiophen-2-yl)ethenyl]pyridin-1-ium iodide
CID 46906855
2-(4-Methylmercaptophenyl)-1-phenyl-6,7-dihydro-5h-pyrrolizine
CID 9815015
1-(4-Fluorophenyl)-2-(4-methylsulphanylphenyl)-6,7-dihydro-5H-pyrrolizine
CID 9880270
7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-2,3-dihydro-1H-pyrrolizine
CID 10108866

Frequently Asked Questions

What is the IUPAC name of 6-(5-methylthiophen-2-yl)-7-phenyl-2,3-dihydro-1H-pyrrolizine?
The IUPAC name of 6-(5-methylthiophen-2-yl)-7-phenyl-2,3-dihydro-1H-pyrrolizine (CID 10869663) is 6-(5-methylthiophen-2-yl)-7-phenyl-2,3-dihydro-1H-pyrrolizine.
What is the SMILES notation for 6-(5-methylthiophen-2-yl)-7-phenyl-2,3-dihydro-1H-pyrrolizine?
The canonical SMILES for 6-(5-methylthiophen-2-yl)-7-phenyl-2,3-dihydro-1H-pyrrolizine is Cc1ccc(-c2cn3c(c2-c2ccccc2)CCC3)s1.
What is the InChIKey of 6-(5-methylthiophen-2-yl)-7-phenyl-2,3-dihydro-1H-pyrrolizine?
The InChIKey is WLFZBSPRIAGXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NS/c1-13-9-10-17(20-13)15-12-19-11-5-8-16(19)18(15)14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3.
What are the key properties of 6-(5-methylthiophen-2-yl)-7-phenyl-2,3-dihydro-1H-pyrrolizine?
6-(5-methylthiophen-2-yl)-7-phenyl-2,3-dihydro-1H-pyrrolizine has a molecular weight of 279.41 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylthiophen-2-yl)-7-phenyl-2,3-dihydro-1H-pyrrolizine is sourced from PubChem (CID 10869663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).