1-(2,3-dichloroprop-2-enyl)-6-oxopiperidine-3-carboxylic acid

C9H11Cl2NO3 — CID 79173164

IUPAC1-(2,3-dichloroprop-2-enyl)-6-oxopiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(CC(Cl)=CCl)C1
InChIInChI=1S/C9H11Cl2NO3/c10-3-7(11)5-12-4-6(9(14)15)1-2-8(12)13/h3,6H,1-2,4-5H2,(H,14,15)
InChIKeyCRLUXFKFFQQHHG-UHFFFAOYSA-N
MW252.10 g/mol
LogP1.63
Rot. Bonds3

About 1-(2,3-dichloroprop-2-enyl)-6-oxopiperidine-3-carboxylic acid

1-(2,3-dichloroprop-2-enyl)-6-oxopiperidine-3-carboxylic acid (PubChem CID 79173164) has the molecular formula C9H11Cl2NO3 and a molecular weight of 252.10 g/mol. Its IUPAC name is 1-(2,3-dichloroprop-2-enyl)-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dichloroprop-2-enyl)-6-oxopiperidine-3-carboxylic acid
PubChem CID79173164
Molecular FormulaC9H11Cl2NO3
Molecular Weight252.10 g/mol
Exact Mass251.01
IUPAC Name1-(2,3-dichloroprop-2-enyl)-6-oxopiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(CC(Cl)=CCl)C1
InChIInChI=1S/C9H11Cl2NO3/c10-3-7(11)5-12-4-6(9(14)15)1-2-8(12)13/h3,6H,1-2,4-5H2,(H,14,15)
InChIKeyCRLUXFKFFQQHHG-UHFFFAOYSA-N
XLogP1.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
CID 62230805
1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid
CID 62303211
1-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxylic acid
CID 55049168
6-oxo-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-3-carboxylic acid
CID 55049782
6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 62230465
1-(4-amino-4-oxobutyl)-6-oxopiperidine-3-carboxylic acid
CID 62301232
6-oxo-1-tetradecylpiperidine-3-carboxylic acid
CID 123215271
1-[2-(4-methylanilino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
CID 62230640
1-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid
CID 62302897
1-[2-(3-methoxypropylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
CID 62216740
1-[(3-chloro-4-fluorophenyl)methyl]-6-oxopiperidine-3-carboxylic acid
CID 103038424
1-[2-[ethyl(methyl)amino]ethyl]-6-oxopiperidine-3-carboxylic acid
CID 62639907

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichloroprop-2-enyl)-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-(2,3-dichloroprop-2-enyl)-6-oxopiperidine-3-carboxylic acid (CID 79173164) is 1-(2,3-dichloroprop-2-enyl)-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,3-dichloroprop-2-enyl)-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,3-dichloroprop-2-enyl)-6-oxopiperidine-3-carboxylic acid is O=C(O)C1CCC(=O)N(CC(Cl)=CCl)C1.
What is the InChIKey of 1-(2,3-dichloroprop-2-enyl)-6-oxopiperidine-3-carboxylic acid?
The InChIKey is CRLUXFKFFQQHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO3/c10-3-7(11)5-12-4-6(9(14)15)1-2-8(12)13/h3,6H,1-2,4-5H2,(H,14,15).
What are the key properties of 1-(2,3-dichloroprop-2-enyl)-6-oxopiperidine-3-carboxylic acid?
1-(2,3-dichloroprop-2-enyl)-6-oxopiperidine-3-carboxylic acid has a molecular weight of 252.10 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichloroprop-2-enyl)-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 79173164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).