2-methylazetidine;4-methylbenzamide

C12H18N2O — CID 67940263

IUPAC2-methylazetidine;4-methylbenzamide
SMILESCC1CCN1.Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C8H9NO.C4H9N/c1-6-2-4-7(5-3-6)8(9)10;1-4-2-3-5-4/h2-5H,1H3,(H2,9,10);4-5H,2-3H2,1H3
InChIKeyUDCGDEGLHDZBJC-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.46
Rot. Bonds1

About 2-methylazetidine;4-methylbenzamide

2-methylazetidine;4-methylbenzamide (PubChem CID 67940263) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-methylazetidine;4-methylbenzamide.

Molecular Properties

Compound Name2-methylazetidine;4-methylbenzamide
PubChem CID67940263
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-methylazetidine;4-methylbenzamide
SMILESCC1CCN1.Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C8H9NO.C4H9N/c1-6-2-4-7(5-3-6)8(9)10;1-4-2-3-5-4/h2-5H,1H3,(H2,9,10);4-5H,2-3H2,1H3
InChIKeyUDCGDEGLHDZBJC-UHFFFAOYSA-N
XLogP1.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylazetidine;4-methylbenzamide?
The IUPAC name of 2-methylazetidine;4-methylbenzamide (CID 67940263) is 2-methylazetidine;4-methylbenzamide.
What is the SMILES notation for 2-methylazetidine;4-methylbenzamide?
The canonical SMILES for 2-methylazetidine;4-methylbenzamide is CC1CCN1.Cc1ccc(C(N)=O)cc1.
What is the InChIKey of 2-methylazetidine;4-methylbenzamide?
The InChIKey is UDCGDEGLHDZBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C4H9N/c1-6-2-4-7(5-3-6)8(9)10;1-4-2-3-5-4/h2-5H,1H3,(H2,9,10);4-5H,2-3H2,1H3.
What are the key properties of 2-methylazetidine;4-methylbenzamide?
2-methylazetidine;4-methylbenzamide has a molecular weight of 206.29 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylazetidine;4-methylbenzamide is sourced from PubChem (CID 67940263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).