3-methyl-3-(oxolan-2-ylmethyl)azetidine

C9H17NO — CID 79451106

IUPAC3-methyl-3-(oxolan-2-ylmethyl)azetidine
SMILESCC1(CC2CCCO2)CNC1
InChIInChI=1S/C9H17NO/c1-9(6-10-7-9)5-8-3-2-4-11-8/h8,10H,2-7H2,1H3
InChIKeyNGSUTDMBTQRICV-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.16
Rot. Bonds2

About 3-methyl-3-(oxolan-2-ylmethyl)azetidine

3-methyl-3-(oxolan-2-ylmethyl)azetidine (PubChem CID 79451106) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-methyl-3-(oxolan-2-ylmethyl)azetidine.

Molecular Properties

Compound Name3-methyl-3-(oxolan-2-ylmethyl)azetidine
PubChem CID79451106
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-methyl-3-(oxolan-2-ylmethyl)azetidine
SMILESCC1(CC2CCCO2)CNC1
InChIInChI=1S/C9H17NO/c1-9(6-10-7-9)5-8-3-2-4-11-8/h8,10H,2-7H2,1H3
InChIKeyNGSUTDMBTQRICV-UHFFFAOYSA-N
XLogP1.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(oxolan-2-ylmethyl)azetidine?
The IUPAC name of 3-methyl-3-(oxolan-2-ylmethyl)azetidine (CID 79451106) is 3-methyl-3-(oxolan-2-ylmethyl)azetidine.
What is the SMILES notation for 3-methyl-3-(oxolan-2-ylmethyl)azetidine?
The canonical SMILES for 3-methyl-3-(oxolan-2-ylmethyl)azetidine is CC1(CC2CCCO2)CNC1.
What is the InChIKey of 3-methyl-3-(oxolan-2-ylmethyl)azetidine?
The InChIKey is NGSUTDMBTQRICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(6-10-7-9)5-8-3-2-4-11-8/h8,10H,2-7H2,1H3.
What are the key properties of 3-methyl-3-(oxolan-2-ylmethyl)azetidine?
3-methyl-3-(oxolan-2-ylmethyl)azetidine has a molecular weight of 155.24 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(oxolan-2-ylmethyl)azetidine is sourced from PubChem (CID 79451106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).