3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]azetidine

C14H17NO3 — CID 116870769

IUPAC3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]azetidine
SMILESCc1cc2c(cc1C1(C3CNC3)COC1)OCO2
InChIInChI=1S/C14H17NO3/c1-9-2-12-13(18-8-17-12)3-11(9)14(6-16-7-14)10-4-15-5-10/h2-3,10,15H,4-8H2,1H3
InChIKeyYXKVAEMUCSPRHD-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.21
Rot. Bonds2

About 3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]azetidine

3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]azetidine (PubChem CID 116870769) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]azetidine.

Molecular Properties

Compound Name3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]azetidine
PubChem CID116870769
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]azetidine
SMILESCc1cc2c(cc1C1(C3CNC3)COC1)OCO2
InChIInChI=1S/C14H17NO3/c1-9-2-12-13(18-8-17-12)3-11(9)14(6-16-7-14)10-4-15-5-10/h2-3,10,15H,4-8H2,1H3
InChIKeyYXKVAEMUCSPRHD-UHFFFAOYSA-N
XLogP1.21
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-methyl-1,3-benzodioxol-5-yl)oxetane-3-carbaldehyde
CID 116872410
2-methyl-3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]propan-1-amine
CID 116870299
7-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydro-1,4-benzodioxine
CID 116876077
2-amino-2-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]ethanol
CID 116874447
3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)oxetane-3-thiol
CID 116872891
3-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]cyclobutan-1-amine
CID 116871328
N-methyl-1-[1-(6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine
CID 116963674
[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)oxetan-3-yl]methanamine
CID 116829634
3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]oxetane-3-carbonitrile
CID 116930037
5-(3,3-dimethyloxiran-2-yl)-6-methyl-1,3-benzodioxole
CID 116864122
[3-(hydroxymethyl)oxetan-3-yl]-(6-methyl-1,3-benzodioxol-5-yl)methanone
CID 116922646
5-(1-isocyanatocyclobutyl)-6-methyl-1,3-benzodioxole
CID 117333938

Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]azetidine?
The IUPAC name of 3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]azetidine (CID 116870769) is 3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]azetidine.
What is the SMILES notation for 3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]azetidine?
The canonical SMILES for 3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]azetidine is Cc1cc2c(cc1C1(C3CNC3)COC1)OCO2.
What is the InChIKey of 3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]azetidine?
The InChIKey is YXKVAEMUCSPRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9-2-12-13(18-8-17-12)3-11(9)14(6-16-7-14)10-4-15-5-10/h2-3,10,15H,4-8H2,1H3.
What are the key properties of 3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]azetidine?
3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]azetidine has a molecular weight of 247.29 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]azetidine is sourced from PubChem (CID 116870769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).