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

C20H27N3O2 — CID 91364249

IUPAC1-[3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)prop-1-enyl]pyrrolidin-2-one
SMILESCN1CCC=C(CC(=CN2CCCC2=O)NOCc2ccccc2)C1
InChIInChI=1S/C20H27N3O2/c1-22-11-5-9-18(14-22)13-19(15-23-12-6-10-20(23)24)21-25-16-17-7-3-2-4-8-17/h2-4,7-9,15,21H,5-6,10-14,16H2,1H3
InChIKeyHZNSDJKASFIJHM-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.82
Rot. Bonds7

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

1-[3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)prop-1-enyl]pyrrolidin-2-one (PubChem CID 91364249) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)prop-1-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)prop-1-enyl]pyrrolidin-2-one
PubChem CID91364249
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-[3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)prop-1-enyl]pyrrolidin-2-one
SMILESCN1CCC=C(CC(=CN2CCCC2=O)NOCc2ccccc2)C1
InChIInChI=1S/C20H27N3O2/c1-22-11-5-9-18(14-22)13-19(15-23-12-6-10-20(23)24)21-25-16-17-7-3-2-4-8-17/h2-4,7-9,15,21H,5-6,10-14,16H2,1H3
InChIKeyHZNSDJKASFIJHM-UHFFFAOYSA-N
XLogP2.82
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
N-benzyloxy-N-n-butyl-glutaramide
CID 129690061
N-benzyloxy-N-methyl-succinamide
CID 129690064
1-Benzyloxy-3-benzyloxyimino-2-pyrrolidinone
CID 129798845
(2E)-N-butyl-2-pentylidene-N'-phenylmethoxybutanediamide
CID 134834805
(4R)-1,4-dimethyl-4-(phenylmethoxyamino)pyrrolidin-2-one
CID 164674069
1,3-Dimethyl-5-[3-methyl-3-(phenylmethoxyamino)but-1-en-2-yl]pyrimidine-2,4-dione
CID 101568328
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)prop-1-enyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)prop-1-enyl]pyrrolidin-2-one (CID 91364249) is 1-[3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)prop-1-enyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)prop-1-enyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)prop-1-enyl]pyrrolidin-2-one is CN1CCC=C(CC(=CN2CCCC2=O)NOCc2ccccc2)C1.
What is the InChIKey of 1-[3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)prop-1-enyl]pyrrolidin-2-one?
The InChIKey is HZNSDJKASFIJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-22-11-5-9-18(14-22)13-19(15-23-12-6-10-20(23)24)21-25-16-17-7-3-2-4-8-17/h2-4,7-9,15,21H,5-6,10-14,16H2,1H3.
What are the key properties of 1-[3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)prop-1-enyl]pyrrolidin-2-one?
1-[3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)prop-1-enyl]pyrrolidin-2-one has a molecular weight of 341.46 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(phenylmethoxyamino)prop-1-enyl]pyrrolidin-2-one is sourced from PubChem (CID 91364249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).