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

C12H19NO2 — CID 114620467

IUPAC1-cyclohex-2-en-1-yl-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C1C=CCCC1
InChIInChI=1S/C12H19NO2/c1-9-11(12(14)15)7-8-13(9)10-5-3-2-4-6-10/h3,5,9-11H,2,4,6-8H2,1H3,(H,14,15)
InChIKeyVRQCWIRDXQRGCX-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.89
Rot. Bonds2

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

1-cyclohex-2-en-1-yl-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 114620467) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-2-methylpyrrolidine-3-carboxylic acid
PubChem CID114620467
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-cyclohex-2-en-1-yl-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C1C=CCCC1
InChIInChI=1S/C12H19NO2/c1-9-11(12(14)15)7-8-13(9)10-5-3-2-4-6-10/h3,5,9-11H,2,4,6-8H2,1H3,(H,14,15)
InChIKeyVRQCWIRDXQRGCX-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'}

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Related Compounds

1-cyclohex-2-en-1-yl-3-methylpyrrolidine-2-carboxylic acid
CID 102786013
1-(2-hydroxycyclopentyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79372128
1-cyclohex-2-en-1-yl-2-methylpiperidin-3-amine
CID 130835288
1-cyclopropyl-2-methylpyrrolidine-3-carboxylic acid
CID 83816133
1-cyclohex-2-en-1-yl-2-methylpyrrolidine
CID 126995474
1-cyclohex-2-en-1-ylpiperazine-2-carboxylic acid
CID 114620582
methyl (2S)-1-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-2-carboxylate
CID 95628939
1-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanone
CID 114620010
1-(4-tert-butylcycloheptyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79383492
1-(2,2-dimethylcyclopentyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79862792
1-(4-hydroxy-1,1-dioxothiolan-3-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 79369286
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cyclohex-2-en-1-yl-2-methylpyrrolidine-3-carboxylic acid (CID 114620467) is 1-cyclohex-2-en-1-yl-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cyclohex-2-en-1-yl-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C1C=CCCC1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is VRQCWIRDXQRGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9-11(12(14)15)7-8-13(9)10-5-3-2-4-6-10/h3,5,9-11H,2,4,6-8H2,1H3,(H,14,15).
What are the key properties of 1-cyclohex-2-en-1-yl-2-methylpyrrolidine-3-carboxylic acid?
1-cyclohex-2-en-1-yl-2-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-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114620467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).