3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one

C11H20N2O2 — CID 22984906

IUPAC3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one
SMILESCNC1CCCCN(CC2COC2)C1=O
InChIInChI=1S/C11H20N2O2/c1-12-10-4-2-3-5-13(11(10)14)6-9-7-15-8-9/h9-10,12H,2-8H2,1H3
InChIKeyMRAJOXQEGNAOBM-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.23
Rot. Bonds3

About 3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one

3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one (PubChem CID 22984906) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one
PubChem CID22984906
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one
SMILESCNC1CCCCN(CC2COC2)C1=O
InChIInChI=1S/C11H20N2O2/c1-12-10-4-2-3-5-13(11(10)14)6-9-7-15-8-9/h9-10,12H,2-8H2,1H3
InChIKeyMRAJOXQEGNAOBM-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one?
The IUPAC name of 3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one (CID 22984906) is 3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one.
What is the SMILES notation for 3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one?
The canonical SMILES for 3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one is CNC1CCCCN(CC2COC2)C1=O.
What is the InChIKey of 3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one?
The InChIKey is MRAJOXQEGNAOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-12-10-4-2-3-5-13(11(10)14)6-9-7-15-8-9/h9-10,12H,2-8H2,1H3.
What are the key properties of 3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one?
3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one has a molecular weight of 212.29 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one is sourced from PubChem (CID 22984906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).