ethene;1,2,3,6-tetrahydropyridine-4-carboxylic acid

C8H13NO2 — CID 142140047

IUPACethene;1,2,3,6-tetrahydropyridine-4-carboxylic acid
SMILESC=C.O=C(O)C1=CCNCC1
InChIInChI=1S/C6H9NO2.C2H4/c8-6(9)5-1-3-7-4-2-5;1-2/h1,7H,2-4H2,(H,8,9);1-2H2
InChIKeyPNFPOKMLXITKBK-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.79
Rot. Bonds1

About ethene;1,2,3,6-tetrahydropyridine-4-carboxylic acid

ethene;1,2,3,6-tetrahydropyridine-4-carboxylic acid (PubChem CID 142140047) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is ethene;1,2,3,6-tetrahydropyridine-4-carboxylic acid.

Molecular Properties

Compound Nameethene;1,2,3,6-tetrahydropyridine-4-carboxylic acid
PubChem CID142140047
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Nameethene;1,2,3,6-tetrahydropyridine-4-carboxylic acid
SMILESC=C.O=C(O)C1=CCNCC1
InChIInChI=1S/C6H9NO2.C2H4/c8-6(9)5-1-3-7-4-2-5;1-2/h1,7H,2-4H2,(H,8,9);1-2H2
InChIKeyPNFPOKMLXITKBK-UHFFFAOYSA-N
XLogP0.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethene;1,2,3,6-tetrahydropyridine-4-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

1,2,3,6-tetrahydropyridine-4-carboxylic acid;hydrobromide
CID 12549674
azepan-1-yl(1,2,3,6-tetrahydropyridin-4-yl)methanone
CID 117125964
1,2,3,6-tetrahydropyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 22482741
N-tert-butyl-N-methyl-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 164644287
(2E,3Z)-2-ethylidene-N,N-dimethyl-5-(1,2,3,6-tetrahydropyridin-4-yl)hexa-3,5-dienamide
CID 177353615
1,2,3,6-tetrahydropyridine-5-carboxylic acid
CID 3532
(4-methylphenyl) 1,2,3,6-tetrahydropyridine-4-carboxylate
CID 117125986
2-acetyloxyethyl 1,2,3,6-tetrahydropyridine-4-carboxylate
CID 70609905
bis(4-(1,2,3,6-tetrahydropyridin-4-yl)aniline);2,2,2-trifluoroacetic acid
CID 175843365
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide
CID 114693829
4-hydroxycyclohexene-1-carboxylic acid
CID 45116548
4-nitroso-1,2,3,6-tetrahydropyridine
CID 135254089

Frequently Asked Questions

What is the IUPAC name of ethene;1,2,3,6-tetrahydropyridine-4-carboxylic acid?
The IUPAC name of ethene;1,2,3,6-tetrahydropyridine-4-carboxylic acid (CID 142140047) is ethene;1,2,3,6-tetrahydropyridine-4-carboxylic acid.
What is the SMILES notation for ethene;1,2,3,6-tetrahydropyridine-4-carboxylic acid?
The canonical SMILES for ethene;1,2,3,6-tetrahydropyridine-4-carboxylic acid is C=C.O=C(O)C1=CCNCC1.
What is the InChIKey of ethene;1,2,3,6-tetrahydropyridine-4-carboxylic acid?
The InChIKey is PNFPOKMLXITKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2.C2H4/c8-6(9)5-1-3-7-4-2-5;1-2/h1,7H,2-4H2,(H,8,9);1-2H2.
What are the key properties of ethene;1,2,3,6-tetrahydropyridine-4-carboxylic acid?
ethene;1,2,3,6-tetrahydropyridine-4-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1,2,3,6-tetrahydropyridine-4-carboxylic acid is sourced from PubChem (CID 142140047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).