1-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C13H19NO — CID 3980505

IUPAC1-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESC=CCC1C=CCC(CC=C)N1C(C)=O
InChIInChI=1S/C13H19NO/c1-4-7-12-9-6-10-13(8-5-2)14(12)11(3)15/h4-6,9,12-13H,1-2,7-8,10H2,3H3
InChIKeyVGMRLIHUGUAMLX-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.68
Rot. Bonds4

About 1-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 3980505) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID3980505
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESC=CCC1C=CCC(CC=C)N1C(C)=O
InChIInChI=1S/C13H19NO/c1-4-7-12-9-6-10-13(8-5-2)14(12)11(3)15/h4-6,9,12-13H,1-2,7-8,10H2,3H3
InChIKeyVGMRLIHUGUAMLX-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethanone, 1-(1,2,5,6-tetrahydro-trans-2,6-diallyl-1-pyridyl)-2,2,2-trifluoro-
CID 612643
1-[(2S,6S)-2,6-di(prop-2-en-1-yl)-3,6-dihydropyridin-1(2H)-yl]-2,2,2-trifluoroethanone
CID 17385721
1-(3,6-Dihydropyridin-1(2h)-yl)ethanone
CID 279717
(2S,6S)-1-acetyl-4-methyl-2,6-diprop-2-enyl-1,2,5,6-tetrahydropyridine
CID 726193
(Z)-N,N-diethylhept-2-enamide
CID 162678727
1,6-Dimethyl-5,6-dihydropyridin-2(1h)-one
CID 12662945
N-(4-fluorocyclohex-3-en-1-yl)-N-methylacetamide
CID 131982799
(3E)-N,N-Diethyl-3-pentenamide
CID 5369259
1-(2,5-Dimethyl-2,5-dihydropyrrol-1-yl)ethanone
CID 23566460
1-Methyl-2-prop-2-enyl-2,3-dihydropyridin-6-one
CID 10511022
(8aS)-6,8a-dihydro-3H-indolizin-5-one
CID 10855504
4H-Quinolizin-4-one, 1,6,9,9a-tetrahydro-
CID 11446435

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 3980505) is 1-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is C=CCC1C=CCC(CC=C)N1C(C)=O.
What is the InChIKey of 1-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is VGMRLIHUGUAMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-7-12-9-6-10-13(8-5-2)14(12)11(3)15/h4-6,9,12-13H,1-2,7-8,10H2,3H3.
What are the key properties of 1-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 205.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 3980505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).