(2R)-2-prop-2-enylpyrrolidine-2-carboxylic acid

C8H13NO2 — CID 2761957

IUPAC(2R)-2-prop-2-enylpyrrolidine-2-carboxylic acid
SMILESC=CC[C@@]1(C(=O)O)CCCN1
InChIInChI=1S/C8H13NO2/c1-2-4-8(7(10)11)5-3-6-9-8/h2,9H,1,3-6H2,(H,10,11)/t8-/m0/s1
InChIKeyWRBBRKMXTLLAOB-QMMMGPOBSA-N
MW155.20 g/mol
LogP0.77
Rot. Bonds3

About (2R)-2-prop-2-enylpyrrolidine-2-carboxylic acid

(2R)-2-prop-2-enylpyrrolidine-2-carboxylic acid (PubChem CID 2761957) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (2R)-2-prop-2-enylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-prop-2-enylpyrrolidine-2-carboxylic acid
PubChem CID2761957
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(2R)-2-prop-2-enylpyrrolidine-2-carboxylic acid
SMILESC=CC[C@@]1(C(=O)O)CCCN1
InChIInChI=1S/C8H13NO2/c1-2-4-8(7(10)11)5-3-6-9-8/h2,9H,1,3-6H2,(H,10,11)/t8-/m0/s1
InChIKeyWRBBRKMXTLLAOB-QMMMGPOBSA-N
XLogP0.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-2-prop-2-enylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-2-prop-2-enylpyrrolidine-2-carboxylic acid (CID 2761957) is (2R)-2-prop-2-enylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-prop-2-enylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-prop-2-enylpyrrolidine-2-carboxylic acid is C=CC[C@@]1(C(=O)O)CCCN1.
What is the InChIKey of (2R)-2-prop-2-enylpyrrolidine-2-carboxylic acid?
The InChIKey is WRBBRKMXTLLAOB-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-4-8(7(10)11)5-3-6-9-8/h2,9H,1,3-6H2,(H,10,11)/t8-/m0/s1.
What are the key properties of (2R)-2-prop-2-enylpyrrolidine-2-carboxylic acid?
(2R)-2-prop-2-enylpyrrolidine-2-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-prop-2-enylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 2761957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).