1-[[6-[(2E)-2-benzylidenehydrazinyl]-3-pyridinyl]methoxy]pyrrolidine-2,5-dione

C17H16N4O3 — CID 23514653

IUPAC1-[[6-[(2E)-2-benzylidenehydrazinyl]-3-pyridinyl]methoxy]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1OCc1ccc(N/N=C/c2ccccc2)nc1
InChIInChI=1S/C17H16N4O3/c22-16-8-9-17(23)21(16)24-12-14-6-7-15(18-10-14)20-19-11-13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2,(H,18,20)/b19-11+
InChIKeyVLECDTLKDCHDTO-YBFXNURJSA-N
MW324.34 g/mol
LogP2.11
Rot. Bonds6

About 1-[[6-[(2E)-2-benzylidenehydrazinyl]-3-pyridinyl]methoxy]pyrrolidine-2,5-dione

1-[[6-[(2E)-2-benzylidenehydrazinyl]-3-pyridinyl]methoxy]pyrrolidine-2,5-dione (PubChem CID 23514653) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-[[6-[(2E)-2-benzylidenehydrazinyl]-3-pyridinyl]methoxy]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[6-[(2E)-2-benzylidenehydrazinyl]-3-pyridinyl]methoxy]pyrrolidine-2,5-dione
PubChem CID23514653
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name1-[[6-[(2E)-2-benzylidenehydrazinyl]-3-pyridinyl]methoxy]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1OCc1ccc(N/N=C/c2ccccc2)nc1
InChIInChI=1S/C17H16N4O3/c22-16-8-9-17(23)21(16)24-12-14-6-7-15(18-10-14)20-19-11-13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2,(H,18,20)/b19-11+
InChIKeyVLECDTLKDCHDTO-YBFXNURJSA-N
XLogP2.11
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-[(2E)-2-benzylidenehydrazinyl]-3-pyridinyl]methoxy]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[6-[(2E)-2-benzylidenehydrazinyl]-3-pyridinyl]methoxy]pyrrolidine-2,5-dione (CID 23514653) is 1-[[6-[(2E)-2-benzylidenehydrazinyl]-3-pyridinyl]methoxy]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[6-[(2E)-2-benzylidenehydrazinyl]-3-pyridinyl]methoxy]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[6-[(2E)-2-benzylidenehydrazinyl]-3-pyridinyl]methoxy]pyrrolidine-2,5-dione is O=C1CCC(=O)N1OCc1ccc(N/N=C/c2ccccc2)nc1.
What is the InChIKey of 1-[[6-[(2E)-2-benzylidenehydrazinyl]-3-pyridinyl]methoxy]pyrrolidine-2,5-dione?
The InChIKey is VLECDTLKDCHDTO-YBFXNURJSA-N. The full InChI is InChI=1S/C17H16N4O3/c22-16-8-9-17(23)21(16)24-12-14-6-7-15(18-10-14)20-19-11-13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2,(H,18,20)/b19-11+.
What are the key properties of 1-[[6-[(2E)-2-benzylidenehydrazinyl]-3-pyridinyl]methoxy]pyrrolidine-2,5-dione?
1-[[6-[(2E)-2-benzylidenehydrazinyl]-3-pyridinyl]methoxy]pyrrolidine-2,5-dione has a molecular weight of 324.34 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[(2E)-2-benzylidenehydrazinyl]-3-pyridinyl]methoxy]pyrrolidine-2,5-dione is sourced from PubChem (CID 23514653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).