3-(2-methoxyethyl)-3-methyl-1-prop-1-en-2-ylazetidine

C10H19NO — CID 176564084

IUPAC3-(2-methoxyethyl)-3-methyl-1-prop-1-en-2-ylazetidine
SMILESC=C(C)N1CC(C)(CCOC)C1
InChIInChI=1S/C10H19NO/c1-9(2)11-7-10(3,8-11)5-6-12-4/h1,5-8H2,2-4H3
InChIKeyOWIRAPHOHWPFIK-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.88
Rot. Bonds4

About 3-(2-methoxyethyl)-3-methyl-1-prop-1-en-2-ylazetidine

3-(2-methoxyethyl)-3-methyl-1-prop-1-en-2-ylazetidine (PubChem CID 176564084) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-3-methyl-1-prop-1-en-2-ylazetidine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-3-methyl-1-prop-1-en-2-ylazetidine
PubChem CID176564084
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(2-methoxyethyl)-3-methyl-1-prop-1-en-2-ylazetidine
SMILESC=C(C)N1CC(C)(CCOC)C1
InChIInChI=1S/C10H19NO/c1-9(2)11-7-10(3,8-11)5-6-12-4/h1,5-8H2,2-4H3
InChIKeyOWIRAPHOHWPFIK-UHFFFAOYSA-N
XLogP1.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-3-methyl-1-prop-1-en-2-ylazetidine?
The IUPAC name of 3-(2-methoxyethyl)-3-methyl-1-prop-1-en-2-ylazetidine (CID 176564084) is 3-(2-methoxyethyl)-3-methyl-1-prop-1-en-2-ylazetidine.
What is the SMILES notation for 3-(2-methoxyethyl)-3-methyl-1-prop-1-en-2-ylazetidine?
The canonical SMILES for 3-(2-methoxyethyl)-3-methyl-1-prop-1-en-2-ylazetidine is C=C(C)N1CC(C)(CCOC)C1.
What is the InChIKey of 3-(2-methoxyethyl)-3-methyl-1-prop-1-en-2-ylazetidine?
The InChIKey is OWIRAPHOHWPFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)11-7-10(3,8-11)5-6-12-4/h1,5-8H2,2-4H3.
What are the key properties of 3-(2-methoxyethyl)-3-methyl-1-prop-1-en-2-ylazetidine?
3-(2-methoxyethyl)-3-methyl-1-prop-1-en-2-ylazetidine has a molecular weight of 169.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-3-methyl-1-prop-1-en-2-ylazetidine is sourced from PubChem (CID 176564084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).