4-methylidenepyrrolidine-2-carboxylic acid

C6H9NO2 — CID 558375

IUPAC4-methylidenepyrrolidine-2-carboxylic acid
SMILESC=C1CNC(C(=O)O)C1
InChIInChI=1S/C6H9NO2/c1-4-2-5(6(8)9)7-3-4/h5,7H,1-3H2,(H,8,9)
InChIKeyPEYQZZMUNYLHII-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.01
Rot. Bonds1

About 4-methylidenepyrrolidine-2-carboxylic acid

4-methylidenepyrrolidine-2-carboxylic acid (PubChem CID 558375) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 4-methylidenepyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methylidenepyrrolidine-2-carboxylic acid
PubChem CID558375
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name4-methylidenepyrrolidine-2-carboxylic acid
SMILESC=C1CNC(C(=O)O)C1
InChIInChI=1S/C6H9NO2/c1-4-2-5(6(8)9)7-3-4/h5,7H,1-3H2,(H,8,9)
InChIKeyPEYQZZMUNYLHII-UHFFFAOYSA-N
XLogP-0.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.01
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 4-methylidenepyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methylidenepyrrolidine-2-carboxylic acid (CID 558375) is 4-methylidenepyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methylidenepyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methylidenepyrrolidine-2-carboxylic acid is C=C1CNC(C(=O)O)C1.
What is the InChIKey of 4-methylidenepyrrolidine-2-carboxylic acid?
The InChIKey is PEYQZZMUNYLHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-4-2-5(6(8)9)7-3-4/h5,7H,1-3H2,(H,8,9).
What are the key properties of 4-methylidenepyrrolidine-2-carboxylic acid?
4-methylidenepyrrolidine-2-carboxylic acid has a molecular weight of 127.14 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenepyrrolidine-2-carboxylic acid is sourced from PubChem (CID 558375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).