1-cyclohex-2-en-1-yl-3-propylpyrrolidine-3-carboxylic acid

C14H23NO2 — CID 114620434

IUPAC1-cyclohex-2-en-1-yl-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C2C=CCCC2)C1
InChIInChI=1S/C14H23NO2/c1-2-8-14(13(16)17)9-10-15(11-14)12-6-4-3-5-7-12/h4,6,12H,2-3,5,7-11H2,1H3,(H,16,17)
InChIKeyLEANEVNWYLIJDC-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.67
Rot. Bonds4

About 1-cyclohex-2-en-1-yl-3-propylpyrrolidine-3-carboxylic acid

1-cyclohex-2-en-1-yl-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 114620434) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-3-propylpyrrolidine-3-carboxylic acid
PubChem CID114620434
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-cyclohex-2-en-1-yl-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C2C=CCCC2)C1
InChIInChI=1S/C14H23NO2/c1-2-8-14(13(16)17)9-10-15(11-14)12-6-4-3-5-7-12/h4,6,12H,2-3,5,7-11H2,1H3,(H,16,17)
InChIKeyLEANEVNWYLIJDC-UHFFFAOYSA-N
XLogP2.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.67
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

Methyl 2-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate
CID 134980809
methyl (1R,6S)-6-methyl-2-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate
CID 134980810
1-Cyclohex-2-en-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 114620436
Dimethyl 2,7-dimethyl-7-azabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 141497974
(1S,2R,4S)-7-azabicyclo[2.2.1]hept-5-ene-2,7-dicarboxylic acid
CID 169751809
(1S,2S,4S)-7-azabicyclo[2.2.1]hept-5-ene-2,7-dicarboxylic acid
CID 169752383
6-(Dimethylamino)-1-ethyl-5-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 172857041
1-(2-Cyclopent-2-en-1-ylacetyl)-3-propylpyrrolidine-3-carboxylic acid
CID 55164990
1-(Cyclohex-3-ene-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63144269
1-(Cyclohex-3-ene-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63144851
1-Pent-4-enoyl-3-propylpyrrolidine-3-carboxylic acid
CID 63145830
1-(Cyclohex-3-ene-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146467

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cyclohex-2-en-1-yl-3-propylpyrrolidine-3-carboxylic acid (CID 114620434) is 1-cyclohex-2-en-1-yl-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cyclohex-2-en-1-yl-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C2C=CCCC2)C1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is LEANEVNWYLIJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-8-14(13(16)17)9-10-15(11-14)12-6-4-3-5-7-12/h4,6,12H,2-3,5,7-11H2,1H3,(H,16,17).
What are the key properties of 1-cyclohex-2-en-1-yl-3-propylpyrrolidine-3-carboxylic acid?
1-cyclohex-2-en-1-yl-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 237.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114620434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).