2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enoic acid

C10H13NO3 — CID 69112764

IUPAC2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enoic acid
SMILESC=CCC(=CN1CCCC1=O)C(=O)O
InChIInChI=1S/C10H13NO3/c1-2-4-8(10(13)14)7-11-6-3-5-9(11)12/h2,7H,1,3-6H2,(H,13,14)
InChIKeyQFVGGLYTEJBBPF-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.15
Rot. Bonds4

About 2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enoic acid

2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enoic acid (PubChem CID 69112764) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enoic acid.

Molecular Properties

Compound Name2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enoic acid
PubChem CID69112764
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enoic acid
SMILESC=CCC(=CN1CCCC1=O)C(=O)O
InChIInChI=1S/C10H13NO3/c1-2-4-8(10(13)14)7-11-6-3-5-9(11)12/h2,7H,1,3-6H2,(H,13,14)
InChIKeyQFVGGLYTEJBBPF-UHFFFAOYSA-N
XLogP1.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enoic acid?
The IUPAC name of 2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enoic acid (CID 69112764) is 2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enoic acid.
What is the SMILES notation for 2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enoic acid?
The canonical SMILES for 2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enoic acid is C=CCC(=CN1CCCC1=O)C(=O)O.
What is the InChIKey of 2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enoic acid?
The InChIKey is QFVGGLYTEJBBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-4-8(10(13)14)7-11-6-3-5-9(11)12/h2,7H,1,3-6H2,(H,13,14).
What are the key properties of 2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enoic acid?
2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxopyrrolidin-1-yl)methylidene]pent-4-enoic acid is sourced from PubChem (CID 69112764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).