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

C7H13N — CID 12558

IUPAC2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESC1CC2CCCN2C1
InChIInChI=1S/C7H13N/c1-3-7-4-2-6-8(7)5-1/h7H,1-6H2
InChIKeyADRDEXBBJTUCND-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.24
Rot. Bonds

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

2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 12558) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

Compound Name2,3,5,6,7,8-hexahydro-1H-pyrrolizine
PubChem CID12558
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESC1CC2CCCN2C1
InChIInChI=1S/C7H13N/c1-3-7-4-2-6-8(7)5-1/h7H,1-6H2
InChIKeyADRDEXBBJTUCND-UHFFFAOYSA-N
XLogP1.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The IUPAC name of 2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 12558) is 2,3,5,6,7,8-hexahydro-1H-pyrrolizine.
What is the SMILES notation for 2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The canonical SMILES for 2,3,5,6,7,8-hexahydro-1H-pyrrolizine is C1CC2CCCN2C1.
What is the InChIKey of 2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The InChIKey is ADRDEXBBJTUCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-3-7-4-2-6-8(7)5-1/h7H,1-6H2.
What are the key properties of 2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
2,3,5,6,7,8-hexahydro-1H-pyrrolizine has a molecular weight of 111.19 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 12558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).