(3R)-1-(cyclohexen-1-yl)pyrrolidine-3-carboxylic acid

C11H17NO2 — CID 162413442

IUPAC(3R)-1-(cyclohexen-1-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C2=CCCCC2)C1
InChIInChI=1S/C11H17NO2/c13-11(14)9-6-7-12(8-9)10-4-2-1-3-5-10/h4,9H,1-3,5-8H2,(H,13,14)/t9-/m1/s1
InChIKeyAGRUNWLQAHTTLX-SECBINFHSA-N
MW195.26 g/mol
LogP1.85
Rot. Bonds2

About (3R)-1-(cyclohexen-1-yl)pyrrolidine-3-carboxylic acid

(3R)-1-(cyclohexen-1-yl)pyrrolidine-3-carboxylic acid (PubChem CID 162413442) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (3R)-1-(cyclohexen-1-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(cyclohexen-1-yl)pyrrolidine-3-carboxylic acid
PubChem CID162413442
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(3R)-1-(cyclohexen-1-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C2=CCCCC2)C1
InChIInChI=1S/C11H17NO2/c13-11(14)9-6-7-12(8-9)10-4-2-1-3-5-10/h4,9H,1-3,5-8H2,(H,13,14)/t9-/m1/s1
InChIKeyAGRUNWLQAHTTLX-SECBINFHSA-N
XLogP1.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclohexen-1-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(cyclohexen-1-yl)pyrrolidine-3-carboxylic acid (CID 162413442) is (3R)-1-(cyclohexen-1-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(cyclohexen-1-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(cyclohexen-1-yl)pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CCN(C2=CCCCC2)C1.
What is the InChIKey of (3R)-1-(cyclohexen-1-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is AGRUNWLQAHTTLX-SECBINFHSA-N. The full InChI is InChI=1S/C11H17NO2/c13-11(14)9-6-7-12(8-9)10-4-2-1-3-5-10/h4,9H,1-3,5-8H2,(H,13,14)/t9-/m1/s1.
What are the key properties of (3R)-1-(cyclohexen-1-yl)pyrrolidine-3-carboxylic acid?
(3R)-1-(cyclohexen-1-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 195.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclohexen-1-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 162413442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).