2-[2-oxo-4,5-bis(prop-2-enyl)pyrrolidin-3-yl]acetic acid

C12H17NO3 — CID 70499388

IUPAC2-[2-oxo-4,5-bis(prop-2-enyl)pyrrolidin-3-yl]acetic acid
SMILESC=CCC1NC(=O)C(CC(=O)O)C1CC=C
InChIInChI=1S/C12H17NO3/c1-3-5-8-9(7-11(14)15)12(16)13-10(8)6-4-2/h3-4,8-10H,1-2,5-7H2,(H,13,16)(H,14,15)
InChIKeyFXQZRNQPGRHAOL-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.34
Rot. Bonds6

About 2-[2-oxo-4,5-bis(prop-2-enyl)pyrrolidin-3-yl]acetic acid

2-[2-oxo-4,5-bis(prop-2-enyl)pyrrolidin-3-yl]acetic acid (PubChem CID 70499388) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[2-oxo-4,5-bis(prop-2-enyl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-4,5-bis(prop-2-enyl)pyrrolidin-3-yl]acetic acid
PubChem CID70499388
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[2-oxo-4,5-bis(prop-2-enyl)pyrrolidin-3-yl]acetic acid
SMILESC=CCC1NC(=O)C(CC(=O)O)C1CC=C
InChIInChI=1S/C12H17NO3/c1-3-5-8-9(7-11(14)15)12(16)13-10(8)6-4-2/h3-4,8-10H,1-2,5-7H2,(H,13,16)(H,14,15)
InChIKeyFXQZRNQPGRHAOL-UHFFFAOYSA-N
XLogP1.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.34
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 2-[2-oxo-4,5-bis(prop-2-enyl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[2-oxo-4,5-bis(prop-2-enyl)pyrrolidin-3-yl]acetic acid (CID 70499388) is 2-[2-oxo-4,5-bis(prop-2-enyl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-4,5-bis(prop-2-enyl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-4,5-bis(prop-2-enyl)pyrrolidin-3-yl]acetic acid is C=CCC1NC(=O)C(CC(=O)O)C1CC=C.
What is the InChIKey of 2-[2-oxo-4,5-bis(prop-2-enyl)pyrrolidin-3-yl]acetic acid?
The InChIKey is FXQZRNQPGRHAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-5-8-9(7-11(14)15)12(16)13-10(8)6-4-2/h3-4,8-10H,1-2,5-7H2,(H,13,16)(H,14,15).
What are the key properties of 2-[2-oxo-4,5-bis(prop-2-enyl)pyrrolidin-3-yl]acetic acid?
2-[2-oxo-4,5-bis(prop-2-enyl)pyrrolidin-3-yl]acetic acid has a molecular weight of 223.27 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-4,5-bis(prop-2-enyl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 70499388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).