2-pent-4-enoylpyrrolidine-1-carboxylic acid

C10H15NO3 — CID 22257830

IUPAC2-pent-4-enoylpyrrolidine-1-carboxylic acid
SMILESC=CCCC(=O)C1CCCN1C(=O)O
InChIInChI=1S/C10H15NO3/c1-2-3-6-9(12)8-5-4-7-11(8)10(13)14/h2,8H,1,3-7H2,(H,13,14)
InChIKeyCHKKOFGXKMWMJO-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.66
Rot. Bonds4

About 2-pent-4-enoylpyrrolidine-1-carboxylic acid

2-pent-4-enoylpyrrolidine-1-carboxylic acid (PubChem CID 22257830) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-pent-4-enoylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-pent-4-enoylpyrrolidine-1-carboxylic acid
PubChem CID22257830
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-pent-4-enoylpyrrolidine-1-carboxylic acid
SMILESC=CCCC(=O)C1CCCN1C(=O)O
InChIInChI=1S/C10H15NO3/c1-2-3-6-9(12)8-5-4-7-11(8)10(13)14/h2,8H,1,3-7H2,(H,13,14)
InChIKeyCHKKOFGXKMWMJO-UHFFFAOYSA-N
XLogP1.66
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
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 2-pent-4-enoylpyrrolidine-1-carboxylic acid?
The IUPAC name of 2-pent-4-enoylpyrrolidine-1-carboxylic acid (CID 22257830) is 2-pent-4-enoylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-pent-4-enoylpyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-pent-4-enoylpyrrolidine-1-carboxylic acid is C=CCCC(=O)C1CCCN1C(=O)O.
What is the InChIKey of 2-pent-4-enoylpyrrolidine-1-carboxylic acid?
The InChIKey is CHKKOFGXKMWMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-3-6-9(12)8-5-4-7-11(8)10(13)14/h2,8H,1,3-7H2,(H,13,14).
What are the key properties of 2-pent-4-enoylpyrrolidine-1-carboxylic acid?
2-pent-4-enoylpyrrolidine-1-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-enoylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 22257830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).