ethane;1-[2-(methoxymethyl)-4-methylazetidin-1-yl]propan-1-one

C11H23NO2 — CID 176672553

IUPACethane;1-[2-(methoxymethyl)-4-methylazetidin-1-yl]propan-1-one
SMILESCC.CCC(=O)N1C(C)CC1COC
InChIInChI=1S/C9H17NO2.C2H6/c1-4-9(11)10-7(2)5-8(10)6-12-3;1-2/h7-8H,4-6H2,1-3H3;1-2H3
InChIKeyRIPIHNJZAKCXSL-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.06
Rot. Bonds3

About ethane;1-[2-(methoxymethyl)-4-methylazetidin-1-yl]propan-1-one

ethane;1-[2-(methoxymethyl)-4-methylazetidin-1-yl]propan-1-one (PubChem CID 176672553) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethane;1-[2-(methoxymethyl)-4-methylazetidin-1-yl]propan-1-one.

Molecular Properties

Compound Nameethane;1-[2-(methoxymethyl)-4-methylazetidin-1-yl]propan-1-one
PubChem CID176672553
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethane;1-[2-(methoxymethyl)-4-methylazetidin-1-yl]propan-1-one
SMILESCC.CCC(=O)N1C(C)CC1COC
InChIInChI=1S/C9H17NO2.C2H6/c1-4-9(11)10-7(2)5-8(10)6-12-3;1-2/h7-8H,4-6H2,1-3H3;1-2H3
InChIKeyRIPIHNJZAKCXSL-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-(methoxymethyl)-4-methylazetidin-1-yl]propan-1-one?
The IUPAC name of ethane;1-[2-(methoxymethyl)-4-methylazetidin-1-yl]propan-1-one (CID 176672553) is ethane;1-[2-(methoxymethyl)-4-methylazetidin-1-yl]propan-1-one.
What is the SMILES notation for ethane;1-[2-(methoxymethyl)-4-methylazetidin-1-yl]propan-1-one?
The canonical SMILES for ethane;1-[2-(methoxymethyl)-4-methylazetidin-1-yl]propan-1-one is CC.CCC(=O)N1C(C)CC1COC.
What is the InChIKey of ethane;1-[2-(methoxymethyl)-4-methylazetidin-1-yl]propan-1-one?
The InChIKey is RIPIHNJZAKCXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C2H6/c1-4-9(11)10-7(2)5-8(10)6-12-3;1-2/h7-8H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[2-(methoxymethyl)-4-methylazetidin-1-yl]propan-1-one?
ethane;1-[2-(methoxymethyl)-4-methylazetidin-1-yl]propan-1-one has a molecular weight of 201.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-(methoxymethyl)-4-methylazetidin-1-yl]propan-1-one is sourced from PubChem (CID 176672553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).