(5R,7S,8aR)-5,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine

C10H19N — CID 11228914

IUPAC(5R,7S,8aR)-5,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC[C@@H]1C[C@H]2CCCN2[C@H](C)C1
InChIInChI=1S/C10H19N/c1-8-6-9(2)11-5-3-4-10(11)7-8/h8-10H,3-7H2,1-2H3/t8-,9+,10+/m0/s1
InChIKeyUMRIPHXQBKNPEB-IVZWLZJFSA-N
MW153.27 g/mol
LogP2.27
Rot. Bonds

About (5R,7S,8aR)-5,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine

(5R,7S,8aR)-5,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 11228914) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (5R,7S,8aR)-5,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name(5R,7S,8aR)-5,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID11228914
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(5R,7S,8aR)-5,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC[C@@H]1C[C@H]2CCCN2[C@H](C)C1
InChIInChI=1S/C10H19N/c1-8-6-9(2)11-5-3-4-10(11)7-8/h8-10H,3-7H2,1-2H3/t8-,9+,10+/m0/s1
InChIKeyUMRIPHXQBKNPEB-IVZWLZJFSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R,7S,8aR)-5,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of (5R,7S,8aR)-5,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 11228914) is (5R,7S,8aR)-5,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for (5R,7S,8aR)-5,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for (5R,7S,8aR)-5,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine is C[C@@H]1C[C@H]2CCCN2[C@H](C)C1.
What is the InChIKey of (5R,7S,8aR)-5,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is UMRIPHXQBKNPEB-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H19N/c1-8-6-9(2)11-5-3-4-10(11)7-8/h8-10H,3-7H2,1-2H3/t8-,9+,10+/m0/s1.
What are the key properties of (5R,7S,8aR)-5,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
(5R,7S,8aR)-5,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 153.27 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S,8aR)-5,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 11228914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).