1-(3,4-dihydro-2H-pyridin-1-yl)ethanone

C7H11NO — CID 29680

IUPAC1-(3,4-dihydro-2H-pyridin-1-yl)ethanone
SMILESCC(=O)N1C=CCCC1
InChIInChI=1S/C7H11NO/c1-7(9)8-5-3-2-4-6-8/h3,5H,2,4,6H2,1H3
InChIKeyZGKNRILGBQAZDJ-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.14
Rot. Bonds

About 1-(3,4-dihydro-2H-pyridin-1-yl)ethanone

1-(3,4-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 29680) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID29680
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-(3,4-dihydro-2H-pyridin-1-yl)ethanone
SMILESCC(=O)N1C=CCCC1
InChIInChI=1S/C7H11NO/c1-7(9)8-5-3-2-4-6-8/h3,5H,2,4,6H2,1H3
InChIKeyZGKNRILGBQAZDJ-UHFFFAOYSA-N
XLogP1.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2,3-Dihydropyrrol-1-yl)propan-1-one
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1-Butyl-3,4-dihydropyridin-2-one
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Ethyl-3,4-dihydropyridin-2(1h)-one
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1-Tert-butyl-3,4-dihydropyridin-2-one
CID 58268658
N-[(E)-prop-1-enyl]-N-propylacetamide
CID 13169221
N-butyl-N-[(E)-prop-1-enyl]acetamide
CID 13169222
N-[(E)-but-1-enyl]-N-propylacetamide
CID 13169223
N-[(E)-but-1-enyl]-N-propylpropanamide
CID 13169228
Propionyl tetrahydro-pyridine
CID 129675821

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-pyridin-1-yl)ethanone (CID 29680) is 1-(3,4-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-pyridin-1-yl)ethanone is CC(=O)N1C=CCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is ZGKNRILGBQAZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-7(9)8-5-3-2-4-6-8/h3,5H,2,4,6H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyridin-1-yl)ethanone?
1-(3,4-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 125.17 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 29680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).