1-ethyl-3-[(E)-imidazo[1,2-a]pyridin-3-ylmethylideneamino]oxypyrrolidin-2-one

C14H16N4O2 — CID 167943124

IUPAC1-ethyl-3-[(E)-imidazo[1,2-a]pyridin-3-ylmethylideneamino]oxypyrrolidin-2-one
SMILESCCN1CCC(O/N=C/c2cnc3ccccn23)C1=O
InChIInChI=1S/C14H16N4O2/c1-2-17-8-6-12(14(17)19)20-16-10-11-9-15-13-5-3-4-7-18(11)13/h3-5,7,9-10,12H,2,6,8H2,1H3/b16-10+
InChIKeyVMIGUVYFRVFYKH-MHWRWJLKSA-N
MW272.31 g/mol
LogP1.31
Rot. Bonds4

About 1-ethyl-3-[(E)-imidazo[1,2-a]pyridin-3-ylmethylideneamino]oxypyrrolidin-2-one

1-ethyl-3-[(E)-imidazo[1,2-a]pyridin-3-ylmethylideneamino]oxypyrrolidin-2-one (PubChem CID 167943124) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-ethyl-3-[(E)-imidazo[1,2-a]pyridin-3-ylmethylideneamino]oxypyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(E)-imidazo[1,2-a]pyridin-3-ylmethylideneamino]oxypyrrolidin-2-one
PubChem CID167943124
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-ethyl-3-[(E)-imidazo[1,2-a]pyridin-3-ylmethylideneamino]oxypyrrolidin-2-one
SMILESCCN1CCC(O/N=C/c2cnc3ccccn23)C1=O
InChIInChI=1S/C14H16N4O2/c1-2-17-8-6-12(14(17)19)20-16-10-11-9-15-13-5-3-4-7-18(11)13/h3-5,7,9-10,12H,2,6,8H2,1H3/b16-10+
InChIKeyVMIGUVYFRVFYKH-MHWRWJLKSA-N
XLogP1.31
TPSA59.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(E)-imidazo[1,2-a]pyridin-3-ylmethylideneamino]oxypyrrolidin-2-one?
The IUPAC name of 1-ethyl-3-[(E)-imidazo[1,2-a]pyridin-3-ylmethylideneamino]oxypyrrolidin-2-one (CID 167943124) is 1-ethyl-3-[(E)-imidazo[1,2-a]pyridin-3-ylmethylideneamino]oxypyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-3-[(E)-imidazo[1,2-a]pyridin-3-ylmethylideneamino]oxypyrrolidin-2-one?
The canonical SMILES for 1-ethyl-3-[(E)-imidazo[1,2-a]pyridin-3-ylmethylideneamino]oxypyrrolidin-2-one is CCN1CCC(O/N=C/c2cnc3ccccn23)C1=O.
What is the InChIKey of 1-ethyl-3-[(E)-imidazo[1,2-a]pyridin-3-ylmethylideneamino]oxypyrrolidin-2-one?
The InChIKey is VMIGUVYFRVFYKH-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-17-8-6-12(14(17)19)20-16-10-11-9-15-13-5-3-4-7-18(11)13/h3-5,7,9-10,12H,2,6,8H2,1H3/b16-10+.
What are the key properties of 1-ethyl-3-[(E)-imidazo[1,2-a]pyridin-3-ylmethylideneamino]oxypyrrolidin-2-one?
1-ethyl-3-[(E)-imidazo[1,2-a]pyridin-3-ylmethylideneamino]oxypyrrolidin-2-one has a molecular weight of 272.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(E)-imidazo[1,2-a]pyridin-3-ylmethylideneamino]oxypyrrolidin-2-one is sourced from PubChem (CID 167943124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).