(2R,8aS)-2-methoxy-1,2,3,5,8,8a-hexahydroindolizine

C9H15NO — CID 141064077

IUPAC(2R,8aS)-2-methoxy-1,2,3,5,8,8a-hexahydroindolizine
SMILESCO[C@@H]1C[C@@H]2CC=CCN2C1
InChIInChI=1S/C9H15NO/c1-11-9-6-8-4-2-3-5-10(8)7-9/h2-3,8-9H,4-7H2,1H3/t8-,9+/m0/s1
InChIKeyVQDQNFBWPIYBGD-DTWKUNHWSA-N
MW153.22 g/mol
LogP1.04
Rot. Bonds1

About (2R,8aS)-2-methoxy-1,2,3,5,8,8a-hexahydroindolizine

(2R,8aS)-2-methoxy-1,2,3,5,8,8a-hexahydroindolizine (PubChem CID 141064077) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2R,8aS)-2-methoxy-1,2,3,5,8,8a-hexahydroindolizine.

Molecular Properties

Compound Name(2R,8aS)-2-methoxy-1,2,3,5,8,8a-hexahydroindolizine
PubChem CID141064077
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2R,8aS)-2-methoxy-1,2,3,5,8,8a-hexahydroindolizine
SMILESCO[C@@H]1C[C@@H]2CC=CCN2C1
InChIInChI=1S/C9H15NO/c1-11-9-6-8-4-2-3-5-10(8)7-9/h2-3,8-9H,4-7H2,1H3/t8-,9+/m0/s1
InChIKeyVQDQNFBWPIYBGD-DTWKUNHWSA-N
XLogP1.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,8aS)-2-methoxy-1,2,3,5,8,8a-hexahydroindolizine?
The IUPAC name of (2R,8aS)-2-methoxy-1,2,3,5,8,8a-hexahydroindolizine (CID 141064077) is (2R,8aS)-2-methoxy-1,2,3,5,8,8a-hexahydroindolizine.
What is the SMILES notation for (2R,8aS)-2-methoxy-1,2,3,5,8,8a-hexahydroindolizine?
The canonical SMILES for (2R,8aS)-2-methoxy-1,2,3,5,8,8a-hexahydroindolizine is CO[C@@H]1C[C@@H]2CC=CCN2C1.
What is the InChIKey of (2R,8aS)-2-methoxy-1,2,3,5,8,8a-hexahydroindolizine?
The InChIKey is VQDQNFBWPIYBGD-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H15NO/c1-11-9-6-8-4-2-3-5-10(8)7-9/h2-3,8-9H,4-7H2,1H3/t8-,9+/m0/s1.
What are the key properties of (2R,8aS)-2-methoxy-1,2,3,5,8,8a-hexahydroindolizine?
(2R,8aS)-2-methoxy-1,2,3,5,8,8a-hexahydroindolizine has a molecular weight of 153.22 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8aS)-2-methoxy-1,2,3,5,8,8a-hexahydroindolizine is sourced from PubChem (CID 141064077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).