(2S)-6-methyl-2-nonyl-2,3-dihydro-1H-pyridin-4-one

C15H27NO — CID 134861677

IUPAC(2S)-6-methyl-2-nonyl-2,3-dihydro-1H-pyridin-4-one
SMILESCCCCCCCCC[C@H]1CC(=O)C=C(C)N1
InChIInChI=1S/C15H27NO/c1-3-4-5-6-7-8-9-10-14-12-15(17)11-13(2)16-14/h11,14,16H,3-10,12H2,1-2H3/t14-/m0/s1
InChIKeyKXVGCBZKFBDZAY-AWEZNQCLSA-N
MW237.39 g/mol
LogP3.96
Rot. Bonds8

About (2S)-6-methyl-2-nonyl-2,3-dihydro-1H-pyridin-4-one

(2S)-6-methyl-2-nonyl-2,3-dihydro-1H-pyridin-4-one (PubChem CID 134861677) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (2S)-6-methyl-2-nonyl-2,3-dihydro-1H-pyridin-4-one.

Molecular Properties

Compound Name(2S)-6-methyl-2-nonyl-2,3-dihydro-1H-pyridin-4-one
PubChem CID134861677
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(2S)-6-methyl-2-nonyl-2,3-dihydro-1H-pyridin-4-one
SMILESCCCCCCCCC[C@H]1CC(=O)C=C(C)N1
InChIInChI=1S/C15H27NO/c1-3-4-5-6-7-8-9-10-14-12-15(17)11-13(2)16-14/h11,14,16H,3-10,12H2,1-2H3/t14-/m0/s1
InChIKeyKXVGCBZKFBDZAY-AWEZNQCLSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-6-methyl-2-nonyl-2,3-dihydro-1H-pyridin-4-one?
The IUPAC name of (2S)-6-methyl-2-nonyl-2,3-dihydro-1H-pyridin-4-one (CID 134861677) is (2S)-6-methyl-2-nonyl-2,3-dihydro-1H-pyridin-4-one.
What is the SMILES notation for (2S)-6-methyl-2-nonyl-2,3-dihydro-1H-pyridin-4-one?
The canonical SMILES for (2S)-6-methyl-2-nonyl-2,3-dihydro-1H-pyridin-4-one is CCCCCCCCC[C@H]1CC(=O)C=C(C)N1.
What is the InChIKey of (2S)-6-methyl-2-nonyl-2,3-dihydro-1H-pyridin-4-one?
The InChIKey is KXVGCBZKFBDZAY-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-4-5-6-7-8-9-10-14-12-15(17)11-13(2)16-14/h11,14,16H,3-10,12H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-6-methyl-2-nonyl-2,3-dihydro-1H-pyridin-4-one?
(2S)-6-methyl-2-nonyl-2,3-dihydro-1H-pyridin-4-one has a molecular weight of 237.39 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-methyl-2-nonyl-2,3-dihydro-1H-pyridin-4-one is sourced from PubChem (CID 134861677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).