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

C13H21NO2 — CID 114620433

IUPAC1-cyclohex-2-en-1-yl-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C2C=CCCC2)C1
InChIInChI=1S/C13H21NO2/c1-2-13(12(15)16)8-9-14(10-13)11-6-4-3-5-7-11/h4,6,11H,2-3,5,7-10H2,1H3,(H,15,16)
InChIKeyIYGKDTRNEDEYGZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.28
Rot. Bonds3

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

1-cyclohex-2-en-1-yl-3-ethylpyrrolidine-3-carboxylic acid (PubChem CID 114620433) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-3-ethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-3-ethylpyrrolidine-3-carboxylic acid
PubChem CID114620433
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-cyclohex-2-en-1-yl-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C2C=CCCC2)C1
InChIInChI=1S/C13H21NO2/c1-2-13(12(15)16)8-9-14(10-13)11-6-4-3-5-7-11/h4,6,11H,2-3,5,7-10H2,1H3,(H,15,16)
InChIKeyIYGKDTRNEDEYGZ-UHFFFAOYSA-N
XLogP2.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.28
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

1-Cyclohex-2-en-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 114620436
1-[(E)-5-methylhex-2-enyl]pyrrolidine-3-carboxylic acid
CID 22322909
2,3,5,8-tetrahydro-1H-pyrrolizine-1-carboxylic acid
CID 54086813
1-Methyl-3-prop-2-enylpyrrolidine-3-carboxylic acid
CID 58293374
1-(5-Methylhex-2-enyl)pyrrolidine-3-carboxylic acid
CID 73882428
Ethane;1-methyl-3-prop-2-enylpyrrolidine-3-carboxylic acid
CID 123909375
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-(Cyclohex-3-ene-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146467
1-But-3-en-2-yl-3-methylpyrrolidine-3-carboxylic acid
CID 63147840
1-But-3-en-2-yl-3-ethylpyrrolidine-3-carboxylic acid
CID 63148686
3-Ethyl-1-prop-2-enylpyrrolidine-3-carboxylic acid
CID 63148696

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-3-ethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cyclohex-2-en-1-yl-3-ethylpyrrolidine-3-carboxylic acid (CID 114620433) is 1-cyclohex-2-en-1-yl-3-ethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-3-ethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cyclohex-2-en-1-yl-3-ethylpyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C2C=CCCC2)C1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-3-ethylpyrrolidine-3-carboxylic acid?
The InChIKey is IYGKDTRNEDEYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-13(12(15)16)8-9-14(10-13)11-6-4-3-5-7-11/h4,6,11H,2-3,5,7-10H2,1H3,(H,15,16).
What are the key properties of 1-cyclohex-2-en-1-yl-3-ethylpyrrolidine-3-carboxylic acid?
1-cyclohex-2-en-1-yl-3-ethylpyrrolidine-3-carboxylic acid has a molecular weight of 223.32 g/mol, XLogP of 2.28, 3 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-ethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114620433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).