1-acetyl-3,4-dihydro-2H-pyridine-2-carboxylic acid

C8H11NO3 — CID 18793388

IUPAC1-acetyl-3,4-dihydro-2H-pyridine-2-carboxylic acid
SMILESCC(=O)N1C=CCCC1C(=O)O
InChIInChI=1S/C8H11NO3/c1-6(10)9-5-3-2-4-7(9)8(11)12/h3,5,7H,2,4H2,1H3,(H,11,12)
InChIKeyPFBWCGZOJJULQT-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.60
Rot. Bonds1

About 1-acetyl-3,4-dihydro-2H-pyridine-2-carboxylic acid

1-acetyl-3,4-dihydro-2H-pyridine-2-carboxylic acid (PubChem CID 18793388) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-acetyl-3,4-dihydro-2H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-3,4-dihydro-2H-pyridine-2-carboxylic acid
PubChem CID18793388
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name1-acetyl-3,4-dihydro-2H-pyridine-2-carboxylic acid
SMILESCC(=O)N1C=CCCC1C(=O)O
InChIInChI=1S/C8H11NO3/c1-6(10)9-5-3-2-4-7(9)8(11)12/h3,5,7H,2,4H2,1H3,(H,11,12)
InChIKeyPFBWCGZOJJULQT-UHFFFAOYSA-N
XLogP0.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-2,3-dihydropyrrole-2-carboxamide
CID 66755761
2-(2-methylpropyl)-3,4-dihydro-2H-pyridine-1-carboxylic acid
CID 175724654
tert-butyl 2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 66545572
tert-butyl (2S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 167528401
3-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridine-2-carbonyl]amino]ethyldisulfanyl]propanoic acid
CID 166424929
(2S)-1-(2,2-dimethylpropanoyl)azetidine-2-carboxylic acid
CID 130184716
(2R,5S)-5-acetyl-1-methylpyrrolidine-2-carboxylic acid
CID 58812271
(2R)-1-[(2R)-2-acetyloxypropanoyl]pyrrolidine-2-carboxylic acid
CID 178172655
1-acetylpiperidine-2-carboxylic acid;ethane
CID 144674830
1-(2,2-dimethylpropanoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 16771274
1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 136558034
(4E)-bicyclo[6.1.0]non-4-ene-9-carboxylic acid
CID 89147518

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3,4-dihydro-2H-pyridine-2-carboxylic acid?
The IUPAC name of 1-acetyl-3,4-dihydro-2H-pyridine-2-carboxylic acid (CID 18793388) is 1-acetyl-3,4-dihydro-2H-pyridine-2-carboxylic acid.
What is the SMILES notation for 1-acetyl-3,4-dihydro-2H-pyridine-2-carboxylic acid?
The canonical SMILES for 1-acetyl-3,4-dihydro-2H-pyridine-2-carboxylic acid is CC(=O)N1C=CCCC1C(=O)O.
What is the InChIKey of 1-acetyl-3,4-dihydro-2H-pyridine-2-carboxylic acid?
The InChIKey is PFBWCGZOJJULQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-6(10)9-5-3-2-4-7(9)8(11)12/h3,5,7H,2,4H2,1H3,(H,11,12).
What are the key properties of 1-acetyl-3,4-dihydro-2H-pyridine-2-carboxylic acid?
1-acetyl-3,4-dihydro-2H-pyridine-2-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3,4-dihydro-2H-pyridine-2-carboxylic acid is sourced from PubChem (CID 18793388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).