(2S,3R)-3-methoxy-1,2,5-trimethyl-3,6-dihydro-2H-pyridine

C9H17NO — CID 59885944

IUPAC(2S,3R)-3-methoxy-1,2,5-trimethyl-3,6-dihydro-2H-pyridine
SMILESCO[C@@H]1C=C(C)CN(C)[C@H]1C
InChIInChI=1S/C9H17NO/c1-7-5-9(11-4)8(2)10(3)6-7/h5,8-9H,6H2,1-4H3/t8-,9+/m0/s1
InChIKeyKKDQTZWMLNKZKD-DTWKUNHWSA-N
MW155.24 g/mol
LogP1.28
Rot. Bonds1

About (2S,3R)-3-methoxy-1,2,5-trimethyl-3,6-dihydro-2H-pyridine

(2S,3R)-3-methoxy-1,2,5-trimethyl-3,6-dihydro-2H-pyridine (PubChem CID 59885944) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2S,3R)-3-methoxy-1,2,5-trimethyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name(2S,3R)-3-methoxy-1,2,5-trimethyl-3,6-dihydro-2H-pyridine
PubChem CID59885944
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2S,3R)-3-methoxy-1,2,5-trimethyl-3,6-dihydro-2H-pyridine
SMILESCO[C@@H]1C=C(C)CN(C)[C@H]1C
InChIInChI=1S/C9H17NO/c1-7-5-9(11-4)8(2)10(3)6-7/h5,8-9H,6H2,1-4H3/t8-,9+/m0/s1
InChIKeyKKDQTZWMLNKZKD-DTWKUNHWSA-N
XLogP1.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.28
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 (2S,3R)-3-methoxy-1,2,5-trimethyl-3,6-dihydro-2H-pyridine?
The IUPAC name of (2S,3R)-3-methoxy-1,2,5-trimethyl-3,6-dihydro-2H-pyridine (CID 59885944) is (2S,3R)-3-methoxy-1,2,5-trimethyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for (2S,3R)-3-methoxy-1,2,5-trimethyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for (2S,3R)-3-methoxy-1,2,5-trimethyl-3,6-dihydro-2H-pyridine is CO[C@@H]1C=C(C)CN(C)[C@H]1C.
What is the InChIKey of (2S,3R)-3-methoxy-1,2,5-trimethyl-3,6-dihydro-2H-pyridine?
The InChIKey is KKDQTZWMLNKZKD-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-5-9(11-4)8(2)10(3)6-7/h5,8-9H,6H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of (2S,3R)-3-methoxy-1,2,5-trimethyl-3,6-dihydro-2H-pyridine?
(2S,3R)-3-methoxy-1,2,5-trimethyl-3,6-dihydro-2H-pyridine has a molecular weight of 155.24 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methoxy-1,2,5-trimethyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 59885944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).