(2S,3S)-6-(2-methoxyethoxy)-2,3-dimethyl-2,3-dihydropyridine

C10H17NO2 — CID 164736836

IUPAC(2S,3S)-6-(2-methoxyethoxy)-2,3-dimethyl-2,3-dihydropyridine
SMILESCOCCOC1=N[C@@H](C)[C@@H](C)C=C1
InChIInChI=1S/C10H17NO2/c1-8-4-5-10(11-9(8)2)13-7-6-12-3/h4-5,8-9H,6-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyRBTRVFGWNQOVLJ-IUCAKERBSA-N
MW183.25 g/mol
LogP1.64
Rot. Bonds3

About (2S,3S)-6-(2-methoxyethoxy)-2,3-dimethyl-2,3-dihydropyridine

(2S,3S)-6-(2-methoxyethoxy)-2,3-dimethyl-2,3-dihydropyridine (PubChem CID 164736836) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (2S,3S)-6-(2-methoxyethoxy)-2,3-dimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name(2S,3S)-6-(2-methoxyethoxy)-2,3-dimethyl-2,3-dihydropyridine
PubChem CID164736836
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(2S,3S)-6-(2-methoxyethoxy)-2,3-dimethyl-2,3-dihydropyridine
SMILESCOCCOC1=N[C@@H](C)[C@@H](C)C=C1
InChIInChI=1S/C10H17NO2/c1-8-4-5-10(11-9(8)2)13-7-6-12-3/h4-5,8-9H,6-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyRBTRVFGWNQOVLJ-IUCAKERBSA-N
XLogP1.64
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-6-(2-methoxyethoxy)-2,3-dimethyl-2,3-dihydropyridine?
The IUPAC name of (2S,3S)-6-(2-methoxyethoxy)-2,3-dimethyl-2,3-dihydropyridine (CID 164736836) is (2S,3S)-6-(2-methoxyethoxy)-2,3-dimethyl-2,3-dihydropyridine.
What is the SMILES notation for (2S,3S)-6-(2-methoxyethoxy)-2,3-dimethyl-2,3-dihydropyridine?
The canonical SMILES for (2S,3S)-6-(2-methoxyethoxy)-2,3-dimethyl-2,3-dihydropyridine is COCCOC1=N[C@@H](C)[C@@H](C)C=C1.
What is the InChIKey of (2S,3S)-6-(2-methoxyethoxy)-2,3-dimethyl-2,3-dihydropyridine?
The InChIKey is RBTRVFGWNQOVLJ-IUCAKERBSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8-4-5-10(11-9(8)2)13-7-6-12-3/h4-5,8-9H,6-7H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-6-(2-methoxyethoxy)-2,3-dimethyl-2,3-dihydropyridine?
(2S,3S)-6-(2-methoxyethoxy)-2,3-dimethyl-2,3-dihydropyridine has a molecular weight of 183.25 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-6-(2-methoxyethoxy)-2,3-dimethyl-2,3-dihydropyridine is sourced from PubChem (CID 164736836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).