2-(6-methylidene-1H-pyridin-3-yl)-1-(2-phenylazetidin-1-yl)ethanone

C17H18N2O — CID 134337704

IUPAC2-(6-methylidene-1H-pyridin-3-yl)-1-(2-phenylazetidin-1-yl)ethanone
SMILESC=C1C=CC(CC(=O)N2CCC2c2ccccc2)=CN1
InChIInChI=1S/C17H18N2O/c1-13-7-8-14(12-18-13)11-17(20)19-10-9-16(19)15-5-3-2-4-6-15/h2-8,12,16,18H,1,9-11H2
InChIKeyOTUUIIKHCXPLSG-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.91
Rot. Bonds3

About 2-(6-methylidene-1H-pyridin-3-yl)-1-(2-phenylazetidin-1-yl)ethanone

2-(6-methylidene-1H-pyridin-3-yl)-1-(2-phenylazetidin-1-yl)ethanone (PubChem CID 134337704) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(6-methylidene-1H-pyridin-3-yl)-1-(2-phenylazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(6-methylidene-1H-pyridin-3-yl)-1-(2-phenylazetidin-1-yl)ethanone
PubChem CID134337704
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-(6-methylidene-1H-pyridin-3-yl)-1-(2-phenylazetidin-1-yl)ethanone
SMILESC=C1C=CC(CC(=O)N2CCC2c2ccccc2)=CN1
InChIInChI=1S/C17H18N2O/c1-13-7-8-14(12-18-13)11-17(20)19-10-9-16(19)15-5-3-2-4-6-15/h2-8,12,16,18H,1,9-11H2
InChIKeyOTUUIIKHCXPLSG-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylidene-1H-pyridin-3-yl)-1-(2-phenylazetidin-1-yl)ethanone?
The IUPAC name of 2-(6-methylidene-1H-pyridin-3-yl)-1-(2-phenylazetidin-1-yl)ethanone (CID 134337704) is 2-(6-methylidene-1H-pyridin-3-yl)-1-(2-phenylazetidin-1-yl)ethanone.
What is the SMILES notation for 2-(6-methylidene-1H-pyridin-3-yl)-1-(2-phenylazetidin-1-yl)ethanone?
The canonical SMILES for 2-(6-methylidene-1H-pyridin-3-yl)-1-(2-phenylazetidin-1-yl)ethanone is C=C1C=CC(CC(=O)N2CCC2c2ccccc2)=CN1.
What is the InChIKey of 2-(6-methylidene-1H-pyridin-3-yl)-1-(2-phenylazetidin-1-yl)ethanone?
The InChIKey is OTUUIIKHCXPLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13-7-8-14(12-18-13)11-17(20)19-10-9-16(19)15-5-3-2-4-6-15/h2-8,12,16,18H,1,9-11H2.
What are the key properties of 2-(6-methylidene-1H-pyridin-3-yl)-1-(2-phenylazetidin-1-yl)ethanone?
2-(6-methylidene-1H-pyridin-3-yl)-1-(2-phenylazetidin-1-yl)ethanone has a molecular weight of 266.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylidene-1H-pyridin-3-yl)-1-(2-phenylazetidin-1-yl)ethanone is sourced from PubChem (CID 134337704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).