(3R,8S)-3-ethyl-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine

C10H19N — CID 134980453

IUPAC(3R,8S)-3-ethyl-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC[C@@H]1CC[C@]2(C)CCCN12
InChIInChI=1S/C10H19N/c1-3-9-5-7-10(2)6-4-8-11(9)10/h9H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyLIHXOJLBUVHAOA-ZJUUUORDSA-N
MW153.27 g/mol
LogP2.41
Rot. Bonds1

About (3R,8S)-3-ethyl-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine

(3R,8S)-3-ethyl-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 134980453) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (3R,8S)-3-ethyl-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name(3R,8S)-3-ethyl-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID134980453
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(3R,8S)-3-ethyl-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC[C@@H]1CC[C@]2(C)CCCN12
InChIInChI=1S/C10H19N/c1-3-9-5-7-10(2)6-4-8-11(9)10/h9H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyLIHXOJLBUVHAOA-ZJUUUORDSA-N
XLogP2.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,8S)-3-ethyl-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of (3R,8S)-3-ethyl-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine (CID 134980453) is (3R,8S)-3-ethyl-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for (3R,8S)-3-ethyl-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for (3R,8S)-3-ethyl-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine is CC[C@@H]1CC[C@]2(C)CCCN12.
What is the InChIKey of (3R,8S)-3-ethyl-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is LIHXOJLBUVHAOA-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H19N/c1-3-9-5-7-10(2)6-4-8-11(9)10/h9H,3-8H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of (3R,8S)-3-ethyl-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?
(3R,8S)-3-ethyl-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 153.27 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8S)-3-ethyl-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 134980453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).