1-[(2E)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-phenylmethoxyiminoethyl]pyrrolidin-2-one

C19H25N3O2 — CID 10308652

IUPAC1-[(2E)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-phenylmethoxyiminoethyl]pyrrolidin-2-one
SMILESCN1CCC=C(/C(CN2CCCC2=O)=N\OCc2ccccc2)C1
InChIInChI=1S/C19H25N3O2/c1-21-11-5-9-17(13-21)18(14-22-12-6-10-19(22)23)20-24-15-16-7-3-2-4-8-16/h2-4,7-9H,5-6,10-15H2,1H3/b20-18-
InChIKeyRSAVZPNEFOYFDT-ZZEZOPTASA-N
MW327.43 g/mol
LogP2.44
Rot. Bonds6

About 1-[(2E)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-phenylmethoxyiminoethyl]pyrrolidin-2-one

1-[(2E)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-phenylmethoxyiminoethyl]pyrrolidin-2-one (PubChem CID 10308652) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[(2E)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-phenylmethoxyiminoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2E)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-phenylmethoxyiminoethyl]pyrrolidin-2-one
PubChem CID10308652
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[(2E)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-phenylmethoxyiminoethyl]pyrrolidin-2-one
SMILESCN1CCC=C(/C(CN2CCCC2=O)=N\OCc2ccccc2)C1
InChIInChI=1S/C19H25N3O2/c1-21-11-5-9-17(13-21)18(14-22-12-6-10-19(22)23)20-24-15-16-7-3-2-4-8-16/h2-4,7-9H,5-6,10-15H2,1H3/b20-18-
InChIKeyRSAVZPNEFOYFDT-ZZEZOPTASA-N
XLogP2.44
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(2E)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-phenylmethoxyiminoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2E)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-phenylmethoxyiminoethyl]pyrrolidin-2-one (CID 10308652) is 1-[(2E)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-phenylmethoxyiminoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2E)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-phenylmethoxyiminoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2E)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-phenylmethoxyiminoethyl]pyrrolidin-2-one is CN1CCC=C(/C(CN2CCCC2=O)=N\OCc2ccccc2)C1.
What is the InChIKey of 1-[(2E)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-phenylmethoxyiminoethyl]pyrrolidin-2-one?
The InChIKey is RSAVZPNEFOYFDT-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H25N3O2/c1-21-11-5-9-17(13-21)18(14-22-12-6-10-19(22)23)20-24-15-16-7-3-2-4-8-16/h2-4,7-9H,5-6,10-15H2,1H3/b20-18-.
What are the key properties of 1-[(2E)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-phenylmethoxyiminoethyl]pyrrolidin-2-one?
1-[(2E)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-phenylmethoxyiminoethyl]pyrrolidin-2-one has a molecular weight of 327.43 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-phenylmethoxyiminoethyl]pyrrolidin-2-one is sourced from PubChem (CID 10308652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).