1-(cyclohex-3-ene-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid

C15H23NO3 — CID 63144851

IUPAC1-(cyclohex-3-ene-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)C2CC=CCC2)C1
InChIInChI=1S/C15H23NO3/c1-2-8-15(14(18)19)9-10-16(11-15)13(17)12-6-4-3-5-7-12/h3-4,12H,2,5-11H2,1H3,(H,18,19)
InChIKeyDAIFGSAVWRTDFK-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.45
Rot. Bonds4

About 1-(cyclohex-3-ene-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid

1-(cyclohex-3-ene-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63144851) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(cyclohex-3-ene-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohex-3-ene-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63144851
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(cyclohex-3-ene-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)C2CC=CCC2)C1
InChIInChI=1S/C15H23NO3/c1-2-8-15(14(18)19)9-10-16(11-15)13(17)12-6-4-3-5-7-12/h3-4,12H,2,5-11H2,1H3,(H,18,19)
InChIKeyDAIFGSAVWRTDFK-UHFFFAOYSA-N
XLogP2.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(Pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 645904
6-[(Dibutylamino)carbonyl]-3-cyclohexene-1-carboxylic acid
CID 2884884
6-(Diethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 21948
3-(3a-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanoic acid
CID 2945041
6-[3-(2-Fluoroethyl)-4-methylidenepyrrolidine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 22960032
1-(2-Cyclopent-2-en-1-ylacetyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709238
1-(Cyclohex-3-ene-1-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709420
1-(Cyclohex-3-ene-1-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119258052
1-(2-Cyclopent-2-en-1-ylacetyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119258054
(3S,4S)-1-(2-cyclopent-2-en-1-ylacetyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 121900044
(3S,4S)-1-(cyclohex-3-ene-1-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 121900107
3-Fluoro-1-(1-prop-2-enylcyclobutanecarbonyl)pyrrolidine-3-carboxylic acid
CID 121909538

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-ene-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(cyclohex-3-ene-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid (CID 63144851) is 1-(cyclohex-3-ene-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclohex-3-ene-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclohex-3-ene-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)C2CC=CCC2)C1.
What is the InChIKey of 1-(cyclohex-3-ene-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is DAIFGSAVWRTDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-8-15(14(18)19)9-10-16(11-15)13(17)12-6-4-3-5-7-12/h3-4,12H,2,5-11H2,1H3,(H,18,19).
What are the key properties of 1-(cyclohex-3-ene-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(cyclohex-3-ene-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-ene-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63144851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).