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

C7H9NO3 — CID 67584127

IUPAC3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid
SMILESO=C(O)C=CN1CCCC1=O
InChIInChI=1S/C7H9NO3/c9-6-2-1-4-8(6)5-3-7(10)11/h3,5H,1-2,4H2,(H,10,11)
InChIKeyAETQTOQFSBPOAH-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.21
Rot. Bonds2

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

3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid (PubChem CID 67584127) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid
PubChem CID67584127
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid
SMILESO=C(O)C=CN1CCCC1=O
InChIInChI=1S/C7H9NO3/c9-6-2-1-4-8(6)5-3-7(10)11/h3,5H,1-2,4H2,(H,10,11)
InChIKeyAETQTOQFSBPOAH-UHFFFAOYSA-N
XLogP0.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acrylic acid vinylpyrrolidone
CID 197163
N-vinylpyrrolidone methacrylic acid
CID 22610349
But-2-enoic acid;1-ethenylpyrrolidin-2-one
CID 69594399
(Z)-but-2-enedioic acid;1-ethenylpyrrolidin-2-one
CID 69751421
(E)-but-2-enedioic acid;1-ethenylpyrrolidin-2-one
CID 6509670
But-2-enedioic acid;1-ethenylpyrrolidin-2-one
CID 293812
(E)-3-(Pyrrolidin-1-yl)acrylic acid
CID 18613082
(E)-3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid
CID 19614031
Sodium;1-ethenylpyrrolidin-2-one;prop-2-enoate
CID 23670953
3-(3-Ethenyl-2-oxopyrrolidin-1-yl)prop-2-enoic acid
CID 53776022
3-(1-Hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl)prop-2-enoic acid
CID 54000787
3-(1-Ethenyl-2-oxopyrrolidin-1-ium-1-yl)prop-2-enoic acid
CID 54028479

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid (CID 67584127) is 3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid is O=C(O)C=CN1CCCC1=O.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid?
The InChIKey is AETQTOQFSBPOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c9-6-2-1-4-8(6)5-3-7(10)11/h3,5H,1-2,4H2,(H,10,11).
What are the key properties of 3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid?
3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid has a molecular weight of 155.15 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid is sourced from PubChem (CID 67584127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).