(2S)-2-pentadecyl-2,3-dihydro-1H-pyridin-6-one

C20H37NO — CID 11616510

IUPAC(2S)-2-pentadecyl-2,3-dihydro-1H-pyridin-6-one
SMILESCCCCCCCCCCCCCCC[C@H]1CC=CC(=O)N1
InChIInChI=1S/C20H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21-19/h15,18-19H,2-14,16-17H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyXEUGYYBGWMEOFL-IBGZPJMESA-N
MW307.52 g/mol
LogP5.91
Rot. Bonds14

About (2S)-2-pentadecyl-2,3-dihydro-1H-pyridin-6-one

(2S)-2-pentadecyl-2,3-dihydro-1H-pyridin-6-one (PubChem CID 11616510) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is (2S)-2-pentadecyl-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name(2S)-2-pentadecyl-2,3-dihydro-1H-pyridin-6-one
PubChem CID11616510
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name(2S)-2-pentadecyl-2,3-dihydro-1H-pyridin-6-one
SMILESCCCCCCCCCCCCCCC[C@H]1CC=CC(=O)N1
InChIInChI=1S/C20H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21-19/h15,18-19H,2-14,16-17H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyXEUGYYBGWMEOFL-IBGZPJMESA-N
XLogP5.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-2-pentadecyl-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of (2S)-2-pentadecyl-2,3-dihydro-1H-pyridin-6-one (CID 11616510) is (2S)-2-pentadecyl-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for (2S)-2-pentadecyl-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for (2S)-2-pentadecyl-2,3-dihydro-1H-pyridin-6-one is CCCCCCCCCCCCCCC[C@H]1CC=CC(=O)N1.
What is the InChIKey of (2S)-2-pentadecyl-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is XEUGYYBGWMEOFL-IBGZPJMESA-N. The full InChI is InChI=1S/C20H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21-19/h15,18-19H,2-14,16-17H2,1H3,(H,21,22)/t19-/m0/s1.
What are the key properties of (2S)-2-pentadecyl-2,3-dihydro-1H-pyridin-6-one?
(2S)-2-pentadecyl-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 307.52 g/mol, XLogP of 5.91, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-pentadecyl-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 11616510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).