[(2S)-1-methoxy-4-methyl-3,4-dihydro-2H-pyridin-2-yl]methanol

C8H15NO2 — CID 89242815

IUPAC[(2S)-1-methoxy-4-methyl-3,4-dihydro-2H-pyridin-2-yl]methanol
SMILESCON1C=CC(C)C[C@H]1CO
InChIInChI=1S/C8H15NO2/c1-7-3-4-9(11-2)8(5-7)6-10/h3-4,7-8,10H,5-6H2,1-2H3/t7?,8-/m0/s1
InChIKeyRSKXECFHLMMDOM-MQWKRIRWSA-N
MW157.21 g/mol
LogP0.76
Rot. Bonds2

About [(2S)-1-methoxy-4-methyl-3,4-dihydro-2H-pyridin-2-yl]methanol

[(2S)-1-methoxy-4-methyl-3,4-dihydro-2H-pyridin-2-yl]methanol (PubChem CID 89242815) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [(2S)-1-methoxy-4-methyl-3,4-dihydro-2H-pyridin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-methoxy-4-methyl-3,4-dihydro-2H-pyridin-2-yl]methanol
PubChem CID89242815
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[(2S)-1-methoxy-4-methyl-3,4-dihydro-2H-pyridin-2-yl]methanol
SMILESCON1C=CC(C)C[C@H]1CO
InChIInChI=1S/C8H15NO2/c1-7-3-4-9(11-2)8(5-7)6-10/h3-4,7-8,10H,5-6H2,1-2H3/t7?,8-/m0/s1
InChIKeyRSKXECFHLMMDOM-MQWKRIRWSA-N
XLogP0.76
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methoxy-4-methyl-3,4-dihydro-2H-pyridin-2-yl]methanol?
The IUPAC name of [(2S)-1-methoxy-4-methyl-3,4-dihydro-2H-pyridin-2-yl]methanol (CID 89242815) is [(2S)-1-methoxy-4-methyl-3,4-dihydro-2H-pyridin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-methoxy-4-methyl-3,4-dihydro-2H-pyridin-2-yl]methanol?
The canonical SMILES for [(2S)-1-methoxy-4-methyl-3,4-dihydro-2H-pyridin-2-yl]methanol is CON1C=CC(C)C[C@H]1CO.
What is the InChIKey of [(2S)-1-methoxy-4-methyl-3,4-dihydro-2H-pyridin-2-yl]methanol?
The InChIKey is RSKXECFHLMMDOM-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7-3-4-9(11-2)8(5-7)6-10/h3-4,7-8,10H,5-6H2,1-2H3/t7?,8-/m0/s1.
What are the key properties of [(2S)-1-methoxy-4-methyl-3,4-dihydro-2H-pyridin-2-yl]methanol?
[(2S)-1-methoxy-4-methyl-3,4-dihydro-2H-pyridin-2-yl]methanol has a molecular weight of 157.21 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methoxy-4-methyl-3,4-dihydro-2H-pyridin-2-yl]methanol is sourced from PubChem (CID 89242815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).