(2R,4R)-4-(cyclohexen-1-yl)-2-methylpyrrolidine-1-carboxylic acid

C12H19NO2 — CID 57202850

IUPAC(2R,4R)-4-(cyclohexen-1-yl)-2-methylpyrrolidine-1-carboxylic acid
SMILESC[C@@H]1C[C@H](C2=CCCCC2)CN1C(=O)O
InChIInChI=1S/C12H19NO2/c1-9-7-11(8-13(9)12(14)15)10-5-3-2-4-6-10/h5,9,11H,2-4,6-8H2,1H3,(H,14,15)/t9-,11+/m1/s1
InChIKeyRVPAEMPFRKBOPQ-KOLCDFICSA-N
MW209.29 g/mol
LogP2.88
Rot. Bonds1

About (2R,4R)-4-(cyclohexen-1-yl)-2-methylpyrrolidine-1-carboxylic acid

(2R,4R)-4-(cyclohexen-1-yl)-2-methylpyrrolidine-1-carboxylic acid (PubChem CID 57202850) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (2R,4R)-4-(cyclohexen-1-yl)-2-methylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-(cyclohexen-1-yl)-2-methylpyrrolidine-1-carboxylic acid
PubChem CID57202850
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(2R,4R)-4-(cyclohexen-1-yl)-2-methylpyrrolidine-1-carboxylic acid
SMILESC[C@@H]1C[C@H](C2=CCCCC2)CN1C(=O)O
InChIInChI=1S/C12H19NO2/c1-9-7-11(8-13(9)12(14)15)10-5-3-2-4-6-10/h5,9,11H,2-4,6-8H2,1H3,(H,14,15)/t9-,11+/m1/s1
InChIKeyRVPAEMPFRKBOPQ-KOLCDFICSA-N
XLogP2.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-(cyclohexen-1-yl)-2-methylpyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,4R)-4-(cyclohexen-1-yl)-2-methylpyrrolidine-1-carboxylic acid (CID 57202850) is (2R,4R)-4-(cyclohexen-1-yl)-2-methylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-(cyclohexen-1-yl)-2-methylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,4R)-4-(cyclohexen-1-yl)-2-methylpyrrolidine-1-carboxylic acid is C[C@@H]1C[C@H](C2=CCCCC2)CN1C(=O)O.
What is the InChIKey of (2R,4R)-4-(cyclohexen-1-yl)-2-methylpyrrolidine-1-carboxylic acid?
The InChIKey is RVPAEMPFRKBOPQ-KOLCDFICSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9-7-11(8-13(9)12(14)15)10-5-3-2-4-6-10/h5,9,11H,2-4,6-8H2,1H3,(H,14,15)/t9-,11+/m1/s1.
What are the key properties of (2R,4R)-4-(cyclohexen-1-yl)-2-methylpyrrolidine-1-carboxylic acid?
(2R,4R)-4-(cyclohexen-1-yl)-2-methylpyrrolidine-1-carboxylic acid has a molecular weight of 209.29 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-(cyclohexen-1-yl)-2-methylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 57202850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).