(2R)-2-(hydroxymethyl)-6-propyl-2,3-dihydro-1H-pyridin-4-one

C9H15NO2 — CID 46895339

IUPAC(2R)-2-(hydroxymethyl)-6-propyl-2,3-dihydro-1H-pyridin-4-one
SMILESCCCC1=CC(=O)C[C@H](CO)N1
InChIInChI=1S/C9H15NO2/c1-2-3-7-4-9(12)5-8(6-11)10-7/h4,8,10-11H,2-3,5-6H2,1H3/t8-/m1/s1
InChIKeyIWVGJDPTMUQRFA-MRVPVSSYSA-N
MW169.22 g/mol
LogP0.59
Rot. Bonds3

About (2R)-2-(hydroxymethyl)-6-propyl-2,3-dihydro-1H-pyridin-4-one

(2R)-2-(hydroxymethyl)-6-propyl-2,3-dihydro-1H-pyridin-4-one (PubChem CID 46895339) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-6-propyl-2,3-dihydro-1H-pyridin-4-one.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-6-propyl-2,3-dihydro-1H-pyridin-4-one
PubChem CID46895339
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(2R)-2-(hydroxymethyl)-6-propyl-2,3-dihydro-1H-pyridin-4-one
SMILESCCCC1=CC(=O)C[C@H](CO)N1
InChIInChI=1S/C9H15NO2/c1-2-3-7-4-9(12)5-8(6-11)10-7/h4,8,10-11H,2-3,5-6H2,1H3/t8-/m1/s1
InChIKeyIWVGJDPTMUQRFA-MRVPVSSYSA-N
XLogP0.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-6-propyl-2,3-dihydro-1H-pyridin-4-one?
The IUPAC name of (2R)-2-(hydroxymethyl)-6-propyl-2,3-dihydro-1H-pyridin-4-one (CID 46895339) is (2R)-2-(hydroxymethyl)-6-propyl-2,3-dihydro-1H-pyridin-4-one.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-6-propyl-2,3-dihydro-1H-pyridin-4-one?
The canonical SMILES for (2R)-2-(hydroxymethyl)-6-propyl-2,3-dihydro-1H-pyridin-4-one is CCCC1=CC(=O)C[C@H](CO)N1.
What is the InChIKey of (2R)-2-(hydroxymethyl)-6-propyl-2,3-dihydro-1H-pyridin-4-one?
The InChIKey is IWVGJDPTMUQRFA-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-3-7-4-9(12)5-8(6-11)10-7/h4,8,10-11H,2-3,5-6H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-6-propyl-2,3-dihydro-1H-pyridin-4-one?
(2R)-2-(hydroxymethyl)-6-propyl-2,3-dihydro-1H-pyridin-4-one has a molecular weight of 169.22 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-6-propyl-2,3-dihydro-1H-pyridin-4-one is sourced from PubChem (CID 46895339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).