(2Z)-2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-ylidene)acetic acid

C7H9NO4 — CID 54704356

IUPAC(2Z)-2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-ylidene)acetic acid
SMILESCN1CC/C(=C(/O)C(=O)O)C1=O
InChIInChI=1S/C7H9NO4/c1-8-3-2-4(6(8)10)5(9)7(11)12/h9H,2-3H2,1H3,(H,11,12)/b5-4-
InChIKeyFOEIYTSZDXDYNY-PLNGDYQASA-N
MW171.15 g/mol
LogP-0.25
Rot. Bonds1

About (2Z)-2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-ylidene)acetic acid

(2Z)-2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-ylidene)acetic acid (PubChem CID 54704356) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is (2Z)-2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-ylidene)acetic acid.

Molecular Properties

Compound Name(2Z)-2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-ylidene)acetic acid
PubChem CID54704356
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name(2Z)-2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-ylidene)acetic acid
SMILESCN1CC/C(=C(/O)C(=O)O)C1=O
InChIInChI=1S/C7H9NO4/c1-8-3-2-4(6(8)10)5(9)7(11)12/h9H,2-3H2,1H3,(H,11,12)/b5-4-
InChIKeyFOEIYTSZDXDYNY-PLNGDYQASA-N
XLogP-0.25
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-ylidene)acetic acid?
The IUPAC name of (2Z)-2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-ylidene)acetic acid (CID 54704356) is (2Z)-2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-ylidene)acetic acid.
What is the SMILES notation for (2Z)-2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-ylidene)acetic acid?
The canonical SMILES for (2Z)-2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-ylidene)acetic acid is CN1CC/C(=C(/O)C(=O)O)C1=O.
What is the InChIKey of (2Z)-2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-ylidene)acetic acid?
The InChIKey is FOEIYTSZDXDYNY-PLNGDYQASA-N. The full InChI is InChI=1S/C7H9NO4/c1-8-3-2-4(6(8)10)5(9)7(11)12/h9H,2-3H2,1H3,(H,11,12)/b5-4-.
What are the key properties of (2Z)-2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-ylidene)acetic acid?
(2Z)-2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-ylidene)acetic acid has a molecular weight of 171.15 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxy-2-(1-methyl-2-oxopyrrolidin-3-ylidene)acetic acid is sourced from PubChem (CID 54704356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).