1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,6,8-tetraen-1-one

C15H19NO — CID 163012805

IUPAC1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,6,8-tetraen-1-one
SMILESCC=CC=CC=CC=CC(=O)N1C=CCCC1
InChIInChI=1S/C15H19NO/c1-2-3-4-5-6-7-9-12-15(17)16-13-10-8-11-14-16/h2-7,9-10,12-13H,8,11,14H2,1H3
InChIKeyJLBTYPJRECBOEI-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.37
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,6,8-tetraen-1-one

1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,6,8-tetraen-1-one (PubChem CID 163012805) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,6,8-tetraen-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,6,8-tetraen-1-one
PubChem CID163012805
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,6,8-tetraen-1-one
SMILESCC=CC=CC=CC=CC(=O)N1C=CCCC1
InChIInChI=1S/C15H19NO/c1-2-3-4-5-6-7-9-12-15(17)16-13-10-8-11-14-16/h2-7,9-10,12-13H,8,11,14H2,1H3
InChIKeyJLBTYPJRECBOEI-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,6,8-tetraen-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,6,8-tetraen-1-one (CID 163012805) is 1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,6,8-tetraen-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,6,8-tetraen-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,6,8-tetraen-1-one is CC=CC=CC=CC=CC(=O)N1C=CCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,6,8-tetraen-1-one?
The InChIKey is JLBTYPJRECBOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-3-4-5-6-7-9-12-15(17)16-13-10-8-11-14-16/h2-7,9-10,12-13H,8,11,14H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,6,8-tetraen-1-one?
1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,6,8-tetraen-1-one has a molecular weight of 229.32 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,6,8-tetraen-1-one is sourced from PubChem (CID 163012805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).