(2R,8R)-2-but-3-enyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

C11H19N — CID 23245267

IUPAC(2R,8R)-2-but-3-enyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESC=CCC[C@@H]1C[C@H]2CCCN2C1
InChIInChI=1S/C11H19N/c1-2-3-5-10-8-11-6-4-7-12(11)9-10/h2,10-11H,1,3-9H2/t10-,11-/m1/s1
InChIKeyADMRZYTVNALKER-GHMZBOCLSA-N
MW165.28 g/mol
LogP2.44
Rot. Bonds3

About (2R,8R)-2-but-3-enyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

(2R,8R)-2-but-3-enyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 23245267) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (2R,8R)-2-but-3-enyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(2R,8R)-2-but-3-enyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
PubChem CID23245267
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(2R,8R)-2-but-3-enyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESC=CCC[C@@H]1C[C@H]2CCCN2C1
InChIInChI=1S/C11H19N/c1-2-3-5-10-8-11-6-4-7-12(11)9-10/h2,10-11H,1,3-9H2/t10-,11-/m1/s1
InChIKeyADMRZYTVNALKER-GHMZBOCLSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,8R)-2-but-3-enyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The IUPAC name of (2R,8R)-2-but-3-enyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 23245267) is (2R,8R)-2-but-3-enyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.
What is the SMILES notation for (2R,8R)-2-but-3-enyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The canonical SMILES for (2R,8R)-2-but-3-enyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is C=CCC[C@@H]1C[C@H]2CCCN2C1.
What is the InChIKey of (2R,8R)-2-but-3-enyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The InChIKey is ADMRZYTVNALKER-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H19N/c1-2-3-5-10-8-11-6-4-7-12(11)9-10/h2,10-11H,1,3-9H2/t10-,11-/m1/s1.
What are the key properties of (2R,8R)-2-but-3-enyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
(2R,8R)-2-but-3-enyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine has a molecular weight of 165.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8R)-2-but-3-enyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 23245267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).