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

C16H23N3O — CID 56871766

IUPAC2-(2-ethylimidazol-1-yl)-1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESC=CC[C@@H]1CC=C[C@@H](C)N1C(=O)Cn1ccnc1CC
InChIInChI=1S/C16H23N3O/c1-4-7-14-9-6-8-13(3)19(14)16(20)12-18-11-10-17-15(18)5-2/h4,6,8,10-11,13-14H,1,5,7,9,12H2,2-3H3/t13-,14-/m1/s1
InChIKeyGOCBOFPTCQIJIN-ZIAGYGMSSA-N
MW273.38 g/mol
LogP2.57
Rot. Bonds5

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

2-(2-ethylimidazol-1-yl)-1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 56871766) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID56871766
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(2-ethylimidazol-1-yl)-1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESC=CC[C@@H]1CC=C[C@@H](C)N1C(=O)Cn1ccnc1CC
InChIInChI=1S/C16H23N3O/c1-4-7-14-9-6-8-13(3)19(14)16(20)12-18-11-10-17-15(18)5-2/h4,6,8,10-11,13-14H,1,5,7,9,12H2,2-3H3/t13-,14-/m1/s1
InChIKeyGOCBOFPTCQIJIN-ZIAGYGMSSA-N
XLogP2.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 56871766) is 2-(2-ethylimidazol-1-yl)-1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]ethanone is C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)Cn1ccnc1CC.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is GOCBOFPTCQIJIN-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-7-14-9-6-8-13(3)19(14)16(20)12-18-11-10-17-15(18)5-2/h4,6,8,10-11,13-14H,1,5,7,9,12H2,2-3H3/t13-,14-/m1/s1.
What are the key properties of 2-(2-ethylimidazol-1-yl)-1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-(2-ethylimidazol-1-yl)-1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 273.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 56871766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).