(2S)-2-hept-6-enyl-2,3-dihydro-1H-pyridin-4-one

C12H19NO — CID 164666840

IUPAC(2S)-2-hept-6-enyl-2,3-dihydro-1H-pyridin-4-one
SMILESC=CCCCCC[C@H]1CC(=O)C=CN1
InChIInChI=1S/C12H19NO/c1-2-3-4-5-6-7-11-10-12(14)8-9-13-11/h2,8-9,11,13H,1,3-7,10H2/t11-/m0/s1
InChIKeyVELODQXTHNPMGE-NSHDSACASA-N
MW193.29 g/mol
LogP2.57
Rot. Bonds6

About (2S)-2-hept-6-enyl-2,3-dihydro-1H-pyridin-4-one

(2S)-2-hept-6-enyl-2,3-dihydro-1H-pyridin-4-one (PubChem CID 164666840) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2S)-2-hept-6-enyl-2,3-dihydro-1H-pyridin-4-one.

Molecular Properties

Compound Name(2S)-2-hept-6-enyl-2,3-dihydro-1H-pyridin-4-one
PubChem CID164666840
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2S)-2-hept-6-enyl-2,3-dihydro-1H-pyridin-4-one
SMILESC=CCCCCC[C@H]1CC(=O)C=CN1
InChIInChI=1S/C12H19NO/c1-2-3-4-5-6-7-11-10-12(14)8-9-13-11/h2,8-9,11,13H,1,3-7,10H2/t11-/m0/s1
InChIKeyVELODQXTHNPMGE-NSHDSACASA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hept-6-enyl-2,3-dihydro-1H-pyridin-4-one?
The IUPAC name of (2S)-2-hept-6-enyl-2,3-dihydro-1H-pyridin-4-one (CID 164666840) is (2S)-2-hept-6-enyl-2,3-dihydro-1H-pyridin-4-one.
What is the SMILES notation for (2S)-2-hept-6-enyl-2,3-dihydro-1H-pyridin-4-one?
The canonical SMILES for (2S)-2-hept-6-enyl-2,3-dihydro-1H-pyridin-4-one is C=CCCCCC[C@H]1CC(=O)C=CN1.
What is the InChIKey of (2S)-2-hept-6-enyl-2,3-dihydro-1H-pyridin-4-one?
The InChIKey is VELODQXTHNPMGE-NSHDSACASA-N. The full InChI is InChI=1S/C12H19NO/c1-2-3-4-5-6-7-11-10-12(14)8-9-13-11/h2,8-9,11,13H,1,3-7,10H2/t11-/m0/s1.
What are the key properties of (2S)-2-hept-6-enyl-2,3-dihydro-1H-pyridin-4-one?
(2S)-2-hept-6-enyl-2,3-dihydro-1H-pyridin-4-one has a molecular weight of 193.29 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hept-6-enyl-2,3-dihydro-1H-pyridin-4-one is sourced from PubChem (CID 164666840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).