1-[2-(phenylmethoxyamino)-3-pyridin-3-ylprop-2-enyl]pyrrolidin-2-one

C19H21N3O2 — CID 90729389

IUPAC1-[2-(phenylmethoxyamino)-3-pyridin-3-ylprop-2-enyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=Cc1cccnc1)NOCc1ccccc1
InChIInChI=1S/C19H21N3O2/c23-19-9-5-11-22(19)14-18(12-17-8-4-10-20-13-17)21-24-15-16-6-2-1-3-7-16/h1-4,6-8,10,12-13,21H,5,9,11,14-15H2
InChIKeyCBAYSHGQFJODTM-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.77
Rot. Bonds7

About 1-[2-(phenylmethoxyamino)-3-pyridin-3-ylprop-2-enyl]pyrrolidin-2-one

1-[2-(phenylmethoxyamino)-3-pyridin-3-ylprop-2-enyl]pyrrolidin-2-one (PubChem CID 90729389) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[2-(phenylmethoxyamino)-3-pyridin-3-ylprop-2-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(phenylmethoxyamino)-3-pyridin-3-ylprop-2-enyl]pyrrolidin-2-one
PubChem CID90729389
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-[2-(phenylmethoxyamino)-3-pyridin-3-ylprop-2-enyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=Cc1cccnc1)NOCc1ccccc1
InChIInChI=1S/C19H21N3O2/c23-19-9-5-11-22(19)14-18(12-17-8-4-10-20-13-17)21-24-15-16-6-2-1-3-7-16/h1-4,6-8,10,12-13,21H,5,9,11,14-15H2
InChIKeyCBAYSHGQFJODTM-UHFFFAOYSA-N
XLogP2.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.77
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(phenylmethoxyamino)-3-pyridin-3-ylprop-2-enyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(phenylmethoxyamino)-3-pyridin-3-ylprop-2-enyl]pyrrolidin-2-one (CID 90729389) is 1-[2-(phenylmethoxyamino)-3-pyridin-3-ylprop-2-enyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(phenylmethoxyamino)-3-pyridin-3-ylprop-2-enyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(phenylmethoxyamino)-3-pyridin-3-ylprop-2-enyl]pyrrolidin-2-one is O=C1CCCN1CC(=Cc1cccnc1)NOCc1ccccc1.
What is the InChIKey of 1-[2-(phenylmethoxyamino)-3-pyridin-3-ylprop-2-enyl]pyrrolidin-2-one?
The InChIKey is CBAYSHGQFJODTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-19-9-5-11-22(19)14-18(12-17-8-4-10-20-13-17)21-24-15-16-6-2-1-3-7-16/h1-4,6-8,10,12-13,21H,5,9,11,14-15H2.
What are the key properties of 1-[2-(phenylmethoxyamino)-3-pyridin-3-ylprop-2-enyl]pyrrolidin-2-one?
1-[2-(phenylmethoxyamino)-3-pyridin-3-ylprop-2-enyl]pyrrolidin-2-one has a molecular weight of 323.40 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(phenylmethoxyamino)-3-pyridin-3-ylprop-2-enyl]pyrrolidin-2-one is sourced from PubChem (CID 90729389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).