3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid;prop-2-enoic acid

C10H13NO5 — CID 174424530

IUPAC3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid;prop-2-enoic acid
SMILESC=CC(=O)O.O=C(O)C=CN1CCCC1=O
InChIInChI=1S/C7H9NO3.C3H4O2/c9-6-2-1-4-8(6)5-3-7(10)11;1-2-3(4)5/h3,5H,1-2,4H2,(H,10,11);2H,1H2,(H,4,5)
InChIKeyOZSCOTYAHCETAL-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.46
Rot. Bonds3

About 3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid;prop-2-enoic acid

3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid;prop-2-enoic acid (PubChem CID 174424530) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid;prop-2-enoic acid.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid;prop-2-enoic acid
PubChem CID174424530
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid;prop-2-enoic acid
SMILESC=CC(=O)O.O=C(O)C=CN1CCCC1=O
InChIInChI=1S/C7H9NO3.C3H4O2/c9-6-2-1-4-8(6)5-3-7(10)11;1-2-3(4)5/h3,5H,1-2,4H2,(H,10,11);2H,1H2,(H,4,5)
InChIKeyOZSCOTYAHCETAL-UHFFFAOYSA-N
XLogP0.46
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid;prop-2-enoic acid?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid;prop-2-enoic acid (CID 174424530) is 3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid;prop-2-enoic acid.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid;prop-2-enoic acid?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid;prop-2-enoic acid is C=CC(=O)O.O=C(O)C=CN1CCCC1=O.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid;prop-2-enoic acid?
The InChIKey is OZSCOTYAHCETAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3.C3H4O2/c9-6-2-1-4-8(6)5-3-7(10)11;1-2-3(4)5/h3,5H,1-2,4H2,(H,10,11);2H,1H2,(H,4,5).
What are the key properties of 3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid;prop-2-enoic acid?
3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid;prop-2-enoic acid has a molecular weight of 227.22 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid;prop-2-enoic acid is sourced from PubChem (CID 174424530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).