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

C14H21NO3 — CID 63144269

IUPAC1-(cyclohex-3-ene-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C2CC=CCC2)C1
InChIInChI=1S/C14H21NO3/c1-2-14(13(17)18)8-9-15(10-14)12(16)11-6-4-3-5-7-11/h3-4,11H,2,5-10H2,1H3,(H,17,18)
InChIKeyOEGPLNXCPXEFSY-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.06
Rot. Bonds3

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

1-(cyclohex-3-ene-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid (PubChem CID 63144269) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(cyclohex-3-ene-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohex-3-ene-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
PubChem CID63144269
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(cyclohex-3-ene-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C2CC=CCC2)C1
InChIInChI=1S/C14H21NO3/c1-2-14(13(17)18)8-9-15(10-14)12(16)11-6-4-3-5-7-11/h3-4,11H,2,5-10H2,1H3,(H,17,18)
InChIKeyOEGPLNXCPXEFSY-UHFFFAOYSA-N
XLogP2.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-ene-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(cyclohex-3-ene-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid (CID 63144269) is 1-(cyclohex-3-ene-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclohex-3-ene-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclohex-3-ene-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)C2CC=CCC2)C1.
What is the InChIKey of 1-(cyclohex-3-ene-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
The InChIKey is OEGPLNXCPXEFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-14(13(17)18)8-9-15(10-14)12(16)11-6-4-3-5-7-11/h3-4,11H,2,5-10H2,1H3,(H,17,18).
What are the key properties of 1-(cyclohex-3-ene-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
1-(cyclohex-3-ene-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 2.06, 3 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-ethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63144269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).