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

C14H21NO — CID 726191

IUPAC1-[(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESC=CC[C@H]1CC(C)=C[C@@H](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/t13-,14+/m1/s1
InChIKeyIQVRSQPYSAMLAZ-KGLIPLIRSA-N
MW219.33 g/mol
LogP3.07
Rot. Bonds4

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

1-[(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 726191) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID726191
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESC=CC[C@H]1CC(C)=C[C@@H](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/t13-,14+/m1/s1
InChIKeyIQVRSQPYSAMLAZ-KGLIPLIRSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 726191) is 1-[(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is C=CC[C@H]1CC(C)=C[C@@H](CC=C)N1C(C)=O.
What is the InChIKey of 1-[(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is IQVRSQPYSAMLAZ-KGLIPLIRSA-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/t13-,14+/m1/s1.
What are the key properties of 1-[(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[(2S,6R)-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-[(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 726191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).