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

C12H19NO2 — CID 102786013

IUPAC1-cyclohex-2-en-1-yl-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C2C=CCCC2)C1C(=O)O
InChIInChI=1S/C12H19NO2/c1-9-7-8-13(11(9)12(14)15)10-5-3-2-4-6-10/h3,5,9-11H,2,4,6-8H2,1H3,(H,14,15)
InChIKeyHNDNCXUCSYNDSP-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.89
Rot. Bonds2

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

1-cyclohex-2-en-1-yl-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102786013) 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-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102786013
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-cyclohex-2-en-1-yl-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C2C=CCCC2)C1C(=O)O
InChIInChI=1S/C12H19NO2/c1-9-7-8-13(11(9)12(14)15)10-5-3-2-4-6-10/h3,5,9-11H,2,4,6-8H2,1H3,(H,14,15)
InChIKeyHNDNCXUCSYNDSP-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-2-methylpyrrolidine-3-carboxylic acid
CID 114620467
1-cyclohex-2-en-1-yl-2-methylpyrrolidine
CID 126995474
1-cyclohex-2-en-1-ylpiperazine-2-carboxylic acid
CID 114620582
1-(2-ethylcyclopentyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102786918
methyl (2S)-1-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-2-carboxylate
CID 95628939
1-(4,4-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102786617
1-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanone
CID 114620010
1-cyclohex-2-en-1-yl-2-methylpiperidin-3-amine
CID 130835288
3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 102786262
1-(4-methoxycyclohexyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102787227
3-methyl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-2-carboxylic acid
CID 103565254
1-(2-hydroxycycloheptyl)-3-methylpiperidine-2-carboxylic acid
CID 107072062

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-cyclohex-2-en-1-yl-3-methylpyrrolidine-2-carboxylic acid (CID 102786013) is 1-cyclohex-2-en-1-yl-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-cyclohex-2-en-1-yl-3-methylpyrrolidine-2-carboxylic acid is CC1CCN(C2C=CCCC2)C1C(=O)O.
What is the InChIKey of 1-cyclohex-2-en-1-yl-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is HNDNCXUCSYNDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9-7-8-13(11(9)12(14)15)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-3-methylpyrrolidine-2-carboxylic acid?
1-cyclohex-2-en-1-yl-3-methylpyrrolidine-2-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-2-carboxylic acid is sourced from PubChem (CID 102786013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).