1-methyl-3-[(4-methylfuran-2-yl)methyl]azetidin-3-ol

C10H15NO2 — CID 83817025

IUPAC1-methyl-3-[(4-methylfuran-2-yl)methyl]azetidin-3-ol
SMILESCc1coc(CC2(O)CN(C)C2)c1
InChIInChI=1S/C10H15NO2/c1-8-3-9(13-5-8)4-10(12)6-11(2)7-10/h3,5,12H,4,6-7H2,1-2H3
InChIKeyALEXBAXPXJKXIE-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.81
Rot. Bonds2

About 1-methyl-3-[(4-methylfuran-2-yl)methyl]azetidin-3-ol

1-methyl-3-[(4-methylfuran-2-yl)methyl]azetidin-3-ol (PubChem CID 83817025) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-methyl-3-[(4-methylfuran-2-yl)methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-methyl-3-[(4-methylfuran-2-yl)methyl]azetidin-3-ol
PubChem CID83817025
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name1-methyl-3-[(4-methylfuran-2-yl)methyl]azetidin-3-ol
SMILESCc1coc(CC2(O)CN(C)C2)c1
InChIInChI=1S/C10H15NO2/c1-8-3-9(13-5-8)4-10(12)6-11(2)7-10/h3,5,12H,4,6-7H2,1-2H3
InChIKeyALEXBAXPXJKXIE-UHFFFAOYSA-N
XLogP0.81
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(4-methylfuran-2-yl)methyl]azetidin-3-ol?
The IUPAC name of 1-methyl-3-[(4-methylfuran-2-yl)methyl]azetidin-3-ol (CID 83817025) is 1-methyl-3-[(4-methylfuran-2-yl)methyl]azetidin-3-ol.
What is the SMILES notation for 1-methyl-3-[(4-methylfuran-2-yl)methyl]azetidin-3-ol?
The canonical SMILES for 1-methyl-3-[(4-methylfuran-2-yl)methyl]azetidin-3-ol is Cc1coc(CC2(O)CN(C)C2)c1.
What is the InChIKey of 1-methyl-3-[(4-methylfuran-2-yl)methyl]azetidin-3-ol?
The InChIKey is ALEXBAXPXJKXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8-3-9(13-5-8)4-10(12)6-11(2)7-10/h3,5,12H,4,6-7H2,1-2H3.
What are the key properties of 1-methyl-3-[(4-methylfuran-2-yl)methyl]azetidin-3-ol?
1-methyl-3-[(4-methylfuran-2-yl)methyl]azetidin-3-ol has a molecular weight of 181.24 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(4-methylfuran-2-yl)methyl]azetidin-3-ol is sourced from PubChem (CID 83817025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).