1-[4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C14H21NO — CID 586042

IUPAC1-[4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESC=CCC1C=C(C)CC(CC=C)N1C(C)=O
InChIInChI=1S/C14H21NO/c1-5-7-13-9-11(3)10-14(8-6-2)15(13)12(4)16/h5-6,9,13-14H,1-2,7-8,10H2,3-4H3
InChIKeyIQVRSQPYSAMLAZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.07
Rot. Bonds4

About 1-[4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 586042) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID586042
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESC=CCC1C=C(C)CC(CC=C)N1C(C)=O
InChIInChI=1S/C14H21NO/c1-5-7-13-9-11(3)10-14(8-6-2)15(13)12(4)16/h5-6,9,13-14H,1-2,7-8,10H2,3-4H3
InChIKeyIQVRSQPYSAMLAZ-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 586042) is 1-[4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is C=CCC1C=C(C)CC(CC=C)N1C(C)=O.
What is the InChIKey of 1-[4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is IQVRSQPYSAMLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-7-13-9-11(3)10-14(8-6-2)15(13)12(4)16/h5-6,9,13-14H,1-2,7-8,10H2,3-4H3.
What are the key properties of 1-[4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 219.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 586042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).