2-(2-phenylcyclobutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

C17H23N — CID 167120047

IUPAC2-(2-phenylcyclobutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESc1ccc(C2CCC2C2CC3CCCN3C2)cc1
InChIInChI=1S/C17H23N/c1-2-5-13(6-3-1)16-8-9-17(16)14-11-15-7-4-10-18(15)12-14/h1-3,5-6,14-17H,4,7-12H2
InChIKeyVMKFFFXAGUAKHK-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.66
Rot. Bonds2

About 2-(2-phenylcyclobutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

2-(2-phenylcyclobutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 167120047) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-(2-phenylcyclobutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

Compound Name2-(2-phenylcyclobutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
PubChem CID167120047
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name2-(2-phenylcyclobutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESc1ccc(C2CCC2C2CC3CCCN3C2)cc1
InChIInChI=1S/C17H23N/c1-2-5-13(6-3-1)16-8-9-17(16)14-11-15-7-4-10-18(15)12-14/h1-3,5-6,14-17H,4,7-12H2
InChIKeyVMKFFFXAGUAKHK-UHFFFAOYSA-N
XLogP3.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451070
2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451069
1-(3-phenylcyclohexyl)piperidine
CID 163210314
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-phenylcyclopropyl)methanamine
CID 116517715
2-(2-phenylcyclopropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929782
3-methyl-2-(2-phenylcyclopropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79916874
(1S,2S,4R,7R)-2-phenylbicyclo[2.2.1]heptan-7-ol
CID 102585788
(3S)-1-cyclopentyl-3-phenylpyrrolidine
CID 97327940
azane;3-methyl-1-(2-phenylcyclopropyl)piperidine
CID 174742759
1,1'-biphenyl;2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ylmethanol
CID 174695572
(3S,4S)-1-cyclobutyl-3-ethyl-4-phenylpiperidine
CID 134203274
(7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole
CID 141032267

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylcyclobutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The IUPAC name of 2-(2-phenylcyclobutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 167120047) is 2-(2-phenylcyclobutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.
What is the SMILES notation for 2-(2-phenylcyclobutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The canonical SMILES for 2-(2-phenylcyclobutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is c1ccc(C2CCC2C2CC3CCCN3C2)cc1.
What is the InChIKey of 2-(2-phenylcyclobutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The InChIKey is VMKFFFXAGUAKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-2-5-13(6-3-1)16-8-9-17(16)14-11-15-7-4-10-18(15)12-14/h1-3,5-6,14-17H,4,7-12H2.
What are the key properties of 2-(2-phenylcyclobutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
2-(2-phenylcyclobutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine has a molecular weight of 241.38 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylcyclobutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 167120047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).