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

C12H19NO2 — CID 114620432

IUPAC1-cyclohex-2-en-1-yl-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C2C=CCCC2)C1
InChIInChI=1S/C12H19NO2/c1-12(11(14)15)7-8-13(9-12)10-5-3-2-4-6-10/h3,5,10H,2,4,6-9H2,1H3,(H,14,15)
InChIKeyGPHYQPZIZQEOGI-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.89
Rot. Bonds2

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

1-cyclohex-2-en-1-yl-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 114620432) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-3-methylpyrrolidine-3-carboxylic acid
PubChem CID114620432
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-cyclohex-2-en-1-yl-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C2C=CCCC2)C1
InChIInChI=1S/C12H19NO2/c1-12(11(14)15)7-8-13(9-12)10-5-3-2-4-6-10/h3,5,10H,2,4,6-9H2,1H3,(H,14,15)
InChIKeyGPHYQPZIZQEOGI-UHFFFAOYSA-N
XLogP1.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclohex-2-en-1-yl-3-methylpyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(cyclohexen-1-yl)pyrrolidine-3-carboxylic acid
CID 162413442
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
(3S)-1-hex-5-en-3-ylpyrrolidine-3-carboxylic acid
CID 170007899
1-(Cyclohex-3-ene-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63144269
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

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cyclohex-2-en-1-yl-3-methylpyrrolidine-3-carboxylic acid (CID 114620432) is 1-cyclohex-2-en-1-yl-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cyclohex-2-en-1-yl-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C2C=CCCC2)C1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is GPHYQPZIZQEOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(11(14)15)7-8-13(9-12)10-5-3-2-4-6-10/h3,5,10H,2,4,6-9H2,1H3,(H,14,15).
What are the key properties of 1-cyclohex-2-en-1-yl-3-methylpyrrolidine-3-carboxylic acid?
1-cyclohex-2-en-1-yl-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 209.29 g/mol, XLogP of 1.89, 2 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-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114620432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).