3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

C13H17N — CID 14330436

IUPAC3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESc1ccc(C2CCC3CCCN32)cc1
InChIInChI=1S/C13H17N/c1-2-5-11(6-3-1)13-9-8-12-7-4-10-14(12)13/h1-3,5-6,12-13H,4,7-10H2
InChIKeySOTQCHVACHXUKT-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.99
Rot. Bonds1

About 3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 14330436) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

Compound Name3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
PubChem CID14330436
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESc1ccc(C2CCC3CCCN32)cc1
InChIInChI=1S/C13H17N/c1-2-5-11(6-3-1)13-9-8-12-7-4-10-14(12)13/h1-3,5-6,12-13H,4,7-10H2
InChIKeySOTQCHVACHXUKT-UHFFFAOYSA-N
XLogP2.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The IUPAC name of 3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 14330436) is 3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.
What is the SMILES notation for 3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The canonical SMILES for 3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is c1ccc(C2CCC3CCCN32)cc1.
What is the InChIKey of 3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The InChIKey is SOTQCHVACHXUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-2-5-11(6-3-1)13-9-8-12-7-4-10-14(12)13/h1-3,5-6,12-13H,4,7-10H2.
What are the key properties of 3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine has a molecular weight of 187.29 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 14330436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).