(2S)-2-propyl-2,5-dihydro-1H-pyridin-6-one

C8H13NO — CID 55299327

IUPAC(2S)-2-propyl-2,5-dihydro-1H-pyridin-6-one
SMILESCCC[C@H]1C=CCC(=O)N1
InChIInChI=1S/C8H13NO/c1-2-4-7-5-3-6-8(10)9-7/h3,5,7H,2,4,6H2,1H3,(H,9,10)/t7-/m0/s1
InChIKeyWHRTUXJQEZAQGH-ZETCQYMHSA-N
MW139.20 g/mol
LogP1.23
Rot. Bonds2

About (2S)-2-propyl-2,5-dihydro-1H-pyridin-6-one

(2S)-2-propyl-2,5-dihydro-1H-pyridin-6-one (PubChem CID 55299327) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (2S)-2-propyl-2,5-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name(2S)-2-propyl-2,5-dihydro-1H-pyridin-6-one
PubChem CID55299327
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(2S)-2-propyl-2,5-dihydro-1H-pyridin-6-one
SMILESCCC[C@H]1C=CCC(=O)N1
InChIInChI=1S/C8H13NO/c1-2-4-7-5-3-6-8(10)9-7/h3,5,7H,2,4,6H2,1H3,(H,9,10)/t7-/m0/s1
InChIKeyWHRTUXJQEZAQGH-ZETCQYMHSA-N
XLogP1.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-2-propyl-2,5-dihydro-1H-pyridin-6-one?
The IUPAC name of (2S)-2-propyl-2,5-dihydro-1H-pyridin-6-one (CID 55299327) is (2S)-2-propyl-2,5-dihydro-1H-pyridin-6-one.
What is the SMILES notation for (2S)-2-propyl-2,5-dihydro-1H-pyridin-6-one?
The canonical SMILES for (2S)-2-propyl-2,5-dihydro-1H-pyridin-6-one is CCC[C@H]1C=CCC(=O)N1.
What is the InChIKey of (2S)-2-propyl-2,5-dihydro-1H-pyridin-6-one?
The InChIKey is WHRTUXJQEZAQGH-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-4-7-5-3-6-8(10)9-7/h3,5,7H,2,4,6H2,1H3,(H,9,10)/t7-/m0/s1.
What are the key properties of (2S)-2-propyl-2,5-dihydro-1H-pyridin-6-one?
(2S)-2-propyl-2,5-dihydro-1H-pyridin-6-one has a molecular weight of 139.20 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-propyl-2,5-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 55299327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).