1-prop-2-enyl-3,6-dihydro-2H-pyridine-3-carboxylic acid

C9H13NO2 — CID 67895063

IUPAC1-prop-2-enyl-3,6-dihydro-2H-pyridine-3-carboxylic acid
SMILESC=CCN1CC=CC(C(=O)O)C1
InChIInChI=1S/C9H13NO2/c1-2-5-10-6-3-4-8(7-10)9(11)12/h2-4,8H,1,5-7H2,(H,11,12)
InChIKeyYOEGYJYCJMBSSM-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.75
Rot. Bonds3

About 1-prop-2-enyl-3,6-dihydro-2H-pyridine-3-carboxylic acid

1-prop-2-enyl-3,6-dihydro-2H-pyridine-3-carboxylic acid (PubChem CID 67895063) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-prop-2-enyl-3,6-dihydro-2H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-prop-2-enyl-3,6-dihydro-2H-pyridine-3-carboxylic acid
PubChem CID67895063
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-prop-2-enyl-3,6-dihydro-2H-pyridine-3-carboxylic acid
SMILESC=CCN1CC=CC(C(=O)O)C1
InChIInChI=1S/C9H13NO2/c1-2-5-10-6-3-4-8(7-10)9(11)12/h2-4,8H,1,5-7H2,(H,11,12)
InChIKeyYOEGYJYCJMBSSM-UHFFFAOYSA-N
XLogP0.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-prop-2-enyl-3,6-dihydro-2H-pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 1-methyl-1,2,3,6-tetrahydropyridine-3-carboxylate
CID 10888134
1,2,3,6-tetrahydropyridine-3-carboxylic Acid
CID 5242131
3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropanoic acid
CID 127007451
3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2,2-dimethylpropanoic acid
CID 131010588
2,2-Difluoro-3-(5-fluoro-1,2,3,6-tetrahydropyridin-1-yl)propanoic acid
CID 165466912
2,2-Difluoro-3-(1,2,3,6-tetrahydropyridin-1-yl)propanoic acid
CID 165832596
1-(Trifluoroacetyl)-1,2,3,6-tetrahydropyridine-3-carboxylic acid
CID 165912324
1-methyl-3,6-dihydro-2H-pyridine-3-carboxylic acid
CID 13032587
3-(3-carbamoyl-3,6-dihydro-2H-pyridin-1-yl)propanoic acid
CID 69726965
3-(3,6-dihydro-2H-pyridin-1-yl)propanoic acid
CID 82364064
3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propanoic acid
CID 82364096
Methyl 1,3-dimethyl-2,6-dihydropyridine-3-carboxylate
CID 86138917

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3,6-dihydro-2H-pyridine-3-carboxylic acid?
The IUPAC name of 1-prop-2-enyl-3,6-dihydro-2H-pyridine-3-carboxylic acid (CID 67895063) is 1-prop-2-enyl-3,6-dihydro-2H-pyridine-3-carboxylic acid.
What is the SMILES notation for 1-prop-2-enyl-3,6-dihydro-2H-pyridine-3-carboxylic acid?
The canonical SMILES for 1-prop-2-enyl-3,6-dihydro-2H-pyridine-3-carboxylic acid is C=CCN1CC=CC(C(=O)O)C1.
What is the InChIKey of 1-prop-2-enyl-3,6-dihydro-2H-pyridine-3-carboxylic acid?
The InChIKey is YOEGYJYCJMBSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-5-10-6-3-4-8(7-10)9(11)12/h2-4,8H,1,5-7H2,(H,11,12).
What are the key properties of 1-prop-2-enyl-3,6-dihydro-2H-pyridine-3-carboxylic acid?
1-prop-2-enyl-3,6-dihydro-2H-pyridine-3-carboxylic acid has a molecular weight of 167.21 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3,6-dihydro-2H-pyridine-3-carboxylic acid is sourced from PubChem (CID 67895063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).