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

C9H13NO2 — CID 91422016

IUPAC1-(1-acetyl-3,4-dihydro-2H-pyridin-4-yl)ethanone
SMILESCC(=O)C1C=CN(C(C)=O)CC1
InChIInChI=1S/C9H13NO2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3,5,9H,4,6H2,1-2H3
InChIKeyPZKOPSZOSYGFSZ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.96
Rot. Bonds1

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

1-(1-acetyl-3,4-dihydro-2H-pyridin-4-yl)ethanone (PubChem CID 91422016) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(1-acetyl-3,4-dihydro-2H-pyridin-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-acetyl-3,4-dihydro-2H-pyridin-4-yl)ethanone
PubChem CID91422016
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-(1-acetyl-3,4-dihydro-2H-pyridin-4-yl)ethanone
SMILESCC(=O)C1C=CN(C(C)=O)CC1
InChIInChI=1S/C9H13NO2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3,5,9H,4,6H2,1-2H3
InChIKeyPZKOPSZOSYGFSZ-UHFFFAOYSA-N
XLogP0.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Jtdlbyrgysqatb-uhfffaoysa-
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1,4-Diethyl-3,4-dihydropyridin-2-one
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tert-butyl 4-acetyl-3,4-dihydro-2H-pyridine-1-carboxylate
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1,4-diethyl-4,5-dihydro-3H-azepin-2-one
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tert-butyl 4-acetyl-3,4-dihydro-2H-pyridine-1-carboxylate;ethane
CID 156721985
1-butyl-4-methyl-4H-pyridine-2,3-dione
CID 175885125
1,4-diethyl-4H-pyridine-2,3-dione
CID 9793934
4-methyl-1-propyl-4H-pyridine-2,3-dione
CID 10154220
1-ethyl-4-methyl-4H-pyridine-2,3-dione
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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-3,4-dihydro-2H-pyridin-4-yl)ethanone?
The IUPAC name of 1-(1-acetyl-3,4-dihydro-2H-pyridin-4-yl)ethanone (CID 91422016) is 1-(1-acetyl-3,4-dihydro-2H-pyridin-4-yl)ethanone.
What is the SMILES notation for 1-(1-acetyl-3,4-dihydro-2H-pyridin-4-yl)ethanone?
The canonical SMILES for 1-(1-acetyl-3,4-dihydro-2H-pyridin-4-yl)ethanone is CC(=O)C1C=CN(C(C)=O)CC1.
What is the InChIKey of 1-(1-acetyl-3,4-dihydro-2H-pyridin-4-yl)ethanone?
The InChIKey is PZKOPSZOSYGFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3,5,9H,4,6H2,1-2H3.
What are the key properties of 1-(1-acetyl-3,4-dihydro-2H-pyridin-4-yl)ethanone?
1-(1-acetyl-3,4-dihydro-2H-pyridin-4-yl)ethanone has a molecular weight of 167.21 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-3,4-dihydro-2H-pyridin-4-yl)ethanone is sourced from PubChem (CID 91422016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).