(3-methylazetidin-3-yl)-(4-methylphenyl)methanone

C12H15NO — CID 131000770

IUPAC(3-methylazetidin-3-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2(C)CNC2)cc1
InChIInChI=1S/C12H15NO/c1-9-3-5-10(6-4-9)11(14)12(2)7-13-8-12/h3-6,13H,7-8H2,1-2H3
InChIKeyKJWISVXSGOVMAV-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.79
Rot. Bonds2

About (3-methylazetidin-3-yl)-(4-methylphenyl)methanone

(3-methylazetidin-3-yl)-(4-methylphenyl)methanone (PubChem CID 131000770) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (3-methylazetidin-3-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-methylazetidin-3-yl)-(4-methylphenyl)methanone
PubChem CID131000770
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(3-methylazetidin-3-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2(C)CNC2)cc1
InChIInChI=1S/C12H15NO/c1-9-3-5-10(6-4-9)11(14)12(2)7-13-8-12/h3-6,13H,7-8H2,1-2H3
InChIKeyKJWISVXSGOVMAV-UHFFFAOYSA-N
XLogP1.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methylazetidin-3-yl)-(4-methylphenyl)methanone?
The IUPAC name of (3-methylazetidin-3-yl)-(4-methylphenyl)methanone (CID 131000770) is (3-methylazetidin-3-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (3-methylazetidin-3-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (3-methylazetidin-3-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2(C)CNC2)cc1.
What is the InChIKey of (3-methylazetidin-3-yl)-(4-methylphenyl)methanone?
The InChIKey is KJWISVXSGOVMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-3-5-10(6-4-9)11(14)12(2)7-13-8-12/h3-6,13H,7-8H2,1-2H3.
What are the key properties of (3-methylazetidin-3-yl)-(4-methylphenyl)methanone?
(3-methylazetidin-3-yl)-(4-methylphenyl)methanone has a molecular weight of 189.26 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylazetidin-3-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 131000770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).