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

C19H25N3O2 — CID 90925107

IUPAC1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)ethenyl]pyrrolidin-2-one
SMILESCN1CCC=C(C(=CN2CCCC2=O)NOCc2ccccc2)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/h2-4,7-9,14,20H,5-6,10-13,15H2,1H3
InChIKeyGLRDLUTZYFZAIY-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.43
Rot. Bonds6

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

1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)ethenyl]pyrrolidin-2-one (PubChem CID 90925107) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)ethenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)ethenyl]pyrrolidin-2-one
PubChem CID90925107
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)ethenyl]pyrrolidin-2-one
SMILESCN1CCC=C(C(=CN2CCCC2=O)NOCc2ccccc2)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/h2-4,7-9,14,20H,5-6,10-13,15H2,1H3
InChIKeyGLRDLUTZYFZAIY-UHFFFAOYSA-N
XLogP2.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-fluorophenyl)methoxy]-8-[(E)-2-methylbut-2-enyl]-1,8-diazaspiro[4.5]decan-2-one
CID 71687246
3-Amino-1-phenylmethoxypyrrolidin-2-one
CID 14463814
(3R,4R)-3-amino-4-methyl-1-phenylmethoxypyrrolidin-2-one
CID 44377596
1-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]but-3-en-1-one
CID 91119894
5-methyl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]hexan-1-one
CID 91366262
1-Benzyloxy-3-benzyloxyimino-2-pyrrolidinone
CID 129798845
(4R)-1,4-dimethyl-4-(phenylmethoxyamino)pyrrolidin-2-one
CID 164674069
1-[(3Z)-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenylmethoxyiminopropyl]pyrrolidin-2-one
CID 10125931
1-[(2E)-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-phenylmethoxyiminopropyl]pyrrolidin-2-one
CID 10125932
1-[(2E)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-phenylmethoxyiminoethyl]pyrrolidin-2-one
CID 10308652
1-Phenylmethoxypyrrolidin-2-one
CID 14112078
(R)-3-Amino-1-(benzyloxy)pyrrolidin-2-one
CID 14463816

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)ethenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)ethenyl]pyrrolidin-2-one (CID 90925107) is 1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)ethenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)ethenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)ethenyl]pyrrolidin-2-one is CN1CCC=C(C(=CN2CCCC2=O)NOCc2ccccc2)C1.
What is the InChIKey of 1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)ethenyl]pyrrolidin-2-one?
The InChIKey is GLRDLUTZYFZAIY-UHFFFAOYSA-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/h2-4,7-9,14,20H,5-6,10-13,15H2,1H3.
What are the key properties of 1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)ethenyl]pyrrolidin-2-one?
1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)ethenyl]pyrrolidin-2-one has a molecular weight of 327.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)ethenyl]pyrrolidin-2-one is sourced from PubChem (CID 90925107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).