(1S,8R)-1-(deuteriomethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

C8H15N — CID 135059859

IUPAC(1S,8R)-1-(deuteriomethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILES[2H]C[C@H]1CCN2CCC[C@H]12
InChIInChI=1S/C8H15N/c1-7-4-6-9-5-2-3-8(7)9/h7-8H,2-6H2,1H3/t7-,8+/m0/s1/i1D
InChIKeyBFHBAQJJQJPDGF-LHAKFJKNSA-N
MW126.22 g/mol
LogP1.49
Rot. Bonds1

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

(1S,8R)-1-(deuteriomethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 135059859) has the molecular formula C8H15N and a molecular weight of 126.22 g/mol. Its IUPAC name is (1S,8R)-1-(deuteriomethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(1S,8R)-1-(deuteriomethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
PubChem CID135059859
Molecular FormulaC8H15N
Molecular Weight126.22 g/mol
Exact Mass126.13
IUPAC Name(1S,8R)-1-(deuteriomethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILES[2H]C[C@H]1CCN2CCC[C@H]12
InChIInChI=1S/C8H15N/c1-7-4-6-9-5-2-3-8(7)9/h7-8H,2-6H2,1H3/t7-,8+/m0/s1/i1D
InChIKeyBFHBAQJJQJPDGF-LHAKFJKNSA-N
XLogP1.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,8R)-1-(deuteriomethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The IUPAC name of (1S,8R)-1-(deuteriomethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 135059859) is (1S,8R)-1-(deuteriomethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.
What is the SMILES notation for (1S,8R)-1-(deuteriomethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The canonical SMILES for (1S,8R)-1-(deuteriomethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is [2H]C[C@H]1CCN2CCC[C@H]12.
What is the InChIKey of (1S,8R)-1-(deuteriomethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The InChIKey is BFHBAQJJQJPDGF-LHAKFJKNSA-N. The full InChI is InChI=1S/C8H15N/c1-7-4-6-9-5-2-3-8(7)9/h7-8H,2-6H2,1H3/t7-,8+/m0/s1/i1D.
What are the key properties of (1S,8R)-1-(deuteriomethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
(1S,8R)-1-(deuteriomethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine has a molecular weight of 126.22 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-1-(deuteriomethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 135059859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).