2-methyl-1-[2-(methylaminomethyl)-3-methylideneazetidin-1-yl]propan-1-one

C10H18N2O — CID 142929503

IUPAC2-methyl-1-[2-(methylaminomethyl)-3-methylideneazetidin-1-yl]propan-1-one
SMILESC=C1CN(C(=O)C(C)C)C1CNC
InChIInChI=1S/C10H18N2O/c1-7(2)10(13)12-6-8(3)9(12)5-11-4/h7,9,11H,3,5-6H2,1-2,4H3
InChIKeyDECRXIPPRCLUJE-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.63
Rot. Bonds3

About 2-methyl-1-[2-(methylaminomethyl)-3-methylideneazetidin-1-yl]propan-1-one

2-methyl-1-[2-(methylaminomethyl)-3-methylideneazetidin-1-yl]propan-1-one (PubChem CID 142929503) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-methyl-1-[2-(methylaminomethyl)-3-methylideneazetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-(methylaminomethyl)-3-methylideneazetidin-1-yl]propan-1-one
PubChem CID142929503
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-methyl-1-[2-(methylaminomethyl)-3-methylideneazetidin-1-yl]propan-1-one
SMILESC=C1CN(C(=O)C(C)C)C1CNC
InChIInChI=1S/C10H18N2O/c1-7(2)10(13)12-6-8(3)9(12)5-11-4/h7,9,11H,3,5-6H2,1-2,4H3
InChIKeyDECRXIPPRCLUJE-UHFFFAOYSA-N
XLogP0.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(methylaminomethyl)-3-methylideneazetidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[2-(methylaminomethyl)-3-methylideneazetidin-1-yl]propan-1-one (CID 142929503) is 2-methyl-1-[2-(methylaminomethyl)-3-methylideneazetidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[2-(methylaminomethyl)-3-methylideneazetidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[2-(methylaminomethyl)-3-methylideneazetidin-1-yl]propan-1-one is C=C1CN(C(=O)C(C)C)C1CNC.
What is the InChIKey of 2-methyl-1-[2-(methylaminomethyl)-3-methylideneazetidin-1-yl]propan-1-one?
The InChIKey is DECRXIPPRCLUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(2)10(13)12-6-8(3)9(12)5-11-4/h7,9,11H,3,5-6H2,1-2,4H3.
What are the key properties of 2-methyl-1-[2-(methylaminomethyl)-3-methylideneazetidin-1-yl]propan-1-one?
2-methyl-1-[2-(methylaminomethyl)-3-methylideneazetidin-1-yl]propan-1-one has a molecular weight of 182.27 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(methylaminomethyl)-3-methylideneazetidin-1-yl]propan-1-one is sourced from PubChem (CID 142929503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).