1-(3,4-dihydropyridin-2-yl)ethanone

C7H9NO — CID 147075759

IUPAC1-(3,4-dihydropyridin-2-yl)ethanone
SMILESCC(=O)C1=NC=CCC1
InChIInChI=1S/C7H9NO/c1-6(9)7-4-2-3-5-8-7/h3,5H,2,4H2,1H3
InChIKeyBFXSYTIKQHYLJH-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.32
Rot. Bonds1

About 1-(3,4-dihydropyridin-2-yl)ethanone

1-(3,4-dihydropyridin-2-yl)ethanone (PubChem CID 147075759) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 1-(3,4-dihydropyridin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydropyridin-2-yl)ethanone
PubChem CID147075759
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name1-(3,4-dihydropyridin-2-yl)ethanone
SMILESCC(=O)C1=NC=CCC1
InChIInChI=1S/C7H9NO/c1-6(9)7-4-2-3-5-8-7/h3,5H,2,4H2,1H3
InChIKeyBFXSYTIKQHYLJH-UHFFFAOYSA-N
XLogP1.32
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4E,6Z,8E)-3H-azonin-2-yl]ethanone
CID 143996204
(5E)-5-(3,4-dihydropyridin-2-yl)hepta-1,5-dien-2-amine
CID 89188349
1-[(2Z,6E)-4,5-dihydroazocin-7-yl]ethanone
CID 168921885
ethane;2-ethyl-3,4-dihydropyridine
CID 143629885
3,4-dihydropyridin-2-ylmethanamine
CID 122591931
5-(3,4-dihydropyridin-2-ylsulfanyl)hexanamide
CID 123484869
1-(4,5-dihydro-1,2-oxazol-3-yl)ethanone
CID 143618113
1-cyclohexa-1,3-dien-1-ylethanone;N-methylmethanamine
CID 143915057
2-(3,4-dihydropyridin-2-yldisulfanyl)ethyl carbonochloridate
CID 118248336
N-benzyl-N-methyl-3,4-dihydropyridin-2-amine
CID 57126131
carbon monoxide;1-cyclohexa-1,3-dien-1-ylethanone;iron
CID 11043549
ethane;N-methylacetamide;2-methyl-3H-pyrrole
CID 161394735

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydropyridin-2-yl)ethanone?
The IUPAC name of 1-(3,4-dihydropyridin-2-yl)ethanone (CID 147075759) is 1-(3,4-dihydropyridin-2-yl)ethanone.
What is the SMILES notation for 1-(3,4-dihydropyridin-2-yl)ethanone?
The canonical SMILES for 1-(3,4-dihydropyridin-2-yl)ethanone is CC(=O)C1=NC=CCC1.
What is the InChIKey of 1-(3,4-dihydropyridin-2-yl)ethanone?
The InChIKey is BFXSYTIKQHYLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-6(9)7-4-2-3-5-8-7/h3,5H,2,4H2,1H3.
What are the key properties of 1-(3,4-dihydropyridin-2-yl)ethanone?
1-(3,4-dihydropyridin-2-yl)ethanone has a molecular weight of 123.15 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydropyridin-2-yl)ethanone is sourced from PubChem (CID 147075759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).