3-methyl-3-[(5-methyloxolan-2-yl)methyl]azetidine

C10H19NO — CID 103142930

IUPAC3-methyl-3-[(5-methyloxolan-2-yl)methyl]azetidine
SMILESCC1CCC(CC2(C)CNC2)O1
InChIInChI=1S/C10H19NO/c1-8-3-4-9(12-8)5-10(2)6-11-7-10/h8-9,11H,3-7H2,1-2H3
InChIKeyMBLLVQULMVWYLQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.55
Rot. Bonds2

About 3-methyl-3-[(5-methyloxolan-2-yl)methyl]azetidine

3-methyl-3-[(5-methyloxolan-2-yl)methyl]azetidine (PubChem CID 103142930) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-methyl-3-[(5-methyloxolan-2-yl)methyl]azetidine.

Molecular Properties

Compound Name3-methyl-3-[(5-methyloxolan-2-yl)methyl]azetidine
PubChem CID103142930
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-methyl-3-[(5-methyloxolan-2-yl)methyl]azetidine
SMILESCC1CCC(CC2(C)CNC2)O1
InChIInChI=1S/C10H19NO/c1-8-3-4-9(12-8)5-10(2)6-11-7-10/h8-9,11H,3-7H2,1-2H3
InChIKeyMBLLVQULMVWYLQ-UHFFFAOYSA-N
XLogP1.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(5-methyloxolan-2-yl)methyl]azetidine?
The IUPAC name of 3-methyl-3-[(5-methyloxolan-2-yl)methyl]azetidine (CID 103142930) is 3-methyl-3-[(5-methyloxolan-2-yl)methyl]azetidine.
What is the SMILES notation for 3-methyl-3-[(5-methyloxolan-2-yl)methyl]azetidine?
The canonical SMILES for 3-methyl-3-[(5-methyloxolan-2-yl)methyl]azetidine is CC1CCC(CC2(C)CNC2)O1.
What is the InChIKey of 3-methyl-3-[(5-methyloxolan-2-yl)methyl]azetidine?
The InChIKey is MBLLVQULMVWYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8-3-4-9(12-8)5-10(2)6-11-7-10/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 3-methyl-3-[(5-methyloxolan-2-yl)methyl]azetidine?
3-methyl-3-[(5-methyloxolan-2-yl)methyl]azetidine has a molecular weight of 169.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(5-methyloxolan-2-yl)methyl]azetidine is sourced from PubChem (CID 103142930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).