3-methyl-1-(1-methylazetidin-3-yl)azetidine-3-carbonitrile

C9H15N3 — CID 156546474

IUPAC3-methyl-1-(1-methylazetidin-3-yl)azetidine-3-carbonitrile
SMILESCN1CC(N2CC(C)(C#N)C2)C1
InChIInChI=1S/C9H15N3/c1-9(5-10)6-12(7-9)8-3-11(2)4-8/h8H,3-4,6-7H2,1-2H3
InChIKeyURAGDZYJKXBSRV-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.15
Rot. Bonds1

About 3-methyl-1-(1-methylazetidin-3-yl)azetidine-3-carbonitrile

3-methyl-1-(1-methylazetidin-3-yl)azetidine-3-carbonitrile (PubChem CID 156546474) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-methyl-1-(1-methylazetidin-3-yl)azetidine-3-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-(1-methylazetidin-3-yl)azetidine-3-carbonitrile
PubChem CID156546474
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-methyl-1-(1-methylazetidin-3-yl)azetidine-3-carbonitrile
SMILESCN1CC(N2CC(C)(C#N)C2)C1
InChIInChI=1S/C9H15N3/c1-9(5-10)6-12(7-9)8-3-11(2)4-8/h8H,3-4,6-7H2,1-2H3
InChIKeyURAGDZYJKXBSRV-UHFFFAOYSA-N
XLogP0.15
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylazetidin-3-yl)azetidine-3-carbonitrile?
The IUPAC name of 3-methyl-1-(1-methylazetidin-3-yl)azetidine-3-carbonitrile (CID 156546474) is 3-methyl-1-(1-methylazetidin-3-yl)azetidine-3-carbonitrile.
What is the SMILES notation for 3-methyl-1-(1-methylazetidin-3-yl)azetidine-3-carbonitrile?
The canonical SMILES for 3-methyl-1-(1-methylazetidin-3-yl)azetidine-3-carbonitrile is CN1CC(N2CC(C)(C#N)C2)C1.
What is the InChIKey of 3-methyl-1-(1-methylazetidin-3-yl)azetidine-3-carbonitrile?
The InChIKey is URAGDZYJKXBSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-9(5-10)6-12(7-9)8-3-11(2)4-8/h8H,3-4,6-7H2,1-2H3.
What are the key properties of 3-methyl-1-(1-methylazetidin-3-yl)azetidine-3-carbonitrile?
3-methyl-1-(1-methylazetidin-3-yl)azetidine-3-carbonitrile has a molecular weight of 165.24 g/mol, XLogP of 0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylazetidin-3-yl)azetidine-3-carbonitrile is sourced from PubChem (CID 156546474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).