1-(3-methyl-2-phenylazetidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one

C18H18N2O — CID 71993670

IUPAC1-(3-methyl-2-phenylazetidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one
SMILESCC1CN(C(=O)C=Cc2cccnc2)C1c1ccccc1
InChIInChI=1S/C18H18N2O/c1-14-13-20(18(14)16-7-3-2-4-8-16)17(21)10-9-15-6-5-11-19-12-15/h2-12,14,18H,13H2,1H3
InChIKeyGMUCCMHIZXDNRX-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.31
Rot. Bonds3

About 1-(3-methyl-2-phenylazetidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one

1-(3-methyl-2-phenylazetidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one (PubChem CID 71993670) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(3-methyl-2-phenylazetidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-(3-methyl-2-phenylazetidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one
PubChem CID71993670
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-(3-methyl-2-phenylazetidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one
SMILESCC1CN(C(=O)C=Cc2cccnc2)C1c1ccccc1
InChIInChI=1S/C18H18N2O/c1-14-13-20(18(14)16-7-3-2-4-8-16)17(21)10-9-15-6-5-11-19-12-15/h2-12,14,18H,13H2,1H3
InChIKeyGMUCCMHIZXDNRX-UHFFFAOYSA-N
XLogP3.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(3-methyl-2-phenylazetidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 81218755
2-methyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid
CID 106741747
(2S,4R)-4-hydroxy-1-(3-pyridin-3-ylprop-2-enoyl)pyrrolidine-2-carboxylic acid
CID 78952447
(E)-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 122162081
(E)-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 103900724
1-(1-acetyl-3-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 71870518
(E)-1-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 75407811
(3S)-4-[(E)-3-pyridin-3-ylprop-2-enoyl]morpholine-3-carboxylic acid
CID 124513568
(E)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-phenylprop-2-en-1-one
CID 155503656
1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid
CID 43170452
1-(3-pyridin-3-ylprop-2-enoyl)piperidine-4-carboxylic acid
CID 74865282
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 61411290

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-phenylazetidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one?
The IUPAC name of 1-(3-methyl-2-phenylazetidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one (CID 71993670) is 1-(3-methyl-2-phenylazetidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one.
What is the SMILES notation for 1-(3-methyl-2-phenylazetidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one?
The canonical SMILES for 1-(3-methyl-2-phenylazetidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one is CC1CN(C(=O)C=Cc2cccnc2)C1c1ccccc1.
What is the InChIKey of 1-(3-methyl-2-phenylazetidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one?
The InChIKey is GMUCCMHIZXDNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-14-13-20(18(14)16-7-3-2-4-8-16)17(21)10-9-15-6-5-11-19-12-15/h2-12,14,18H,13H2,1H3.
What are the key properties of 1-(3-methyl-2-phenylazetidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one?
1-(3-methyl-2-phenylazetidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one has a molecular weight of 278.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-phenylazetidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 71993670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).