1-(3-methoxybutan-2-yloxymethyl)azetidin-2-one

C9H17NO3 — CID 148506540

IUPAC1-(3-methoxybutan-2-yloxymethyl)azetidin-2-one
SMILESCOC(C)C(C)OCN1CCC1=O
InChIInChI=1S/C9H17NO3/c1-7(12-3)8(2)13-6-10-5-4-9(10)11/h7-8H,4-6H2,1-3H3
InChIKeyMLRMKQKORQFLAN-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.62
Rot. Bonds5

About 1-(3-methoxybutan-2-yloxymethyl)azetidin-2-one

1-(3-methoxybutan-2-yloxymethyl)azetidin-2-one (PubChem CID 148506540) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-(3-methoxybutan-2-yloxymethyl)azetidin-2-one.

Molecular Properties

Compound Name1-(3-methoxybutan-2-yloxymethyl)azetidin-2-one
PubChem CID148506540
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name1-(3-methoxybutan-2-yloxymethyl)azetidin-2-one
SMILESCOC(C)C(C)OCN1CCC1=O
InChIInChI=1S/C9H17NO3/c1-7(12-3)8(2)13-6-10-5-4-9(10)11/h7-8H,4-6H2,1-3H3
InChIKeyMLRMKQKORQFLAN-UHFFFAOYSA-N
XLogP0.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxybutan-2-yloxymethyl)azetidin-2-one?
The IUPAC name of 1-(3-methoxybutan-2-yloxymethyl)azetidin-2-one (CID 148506540) is 1-(3-methoxybutan-2-yloxymethyl)azetidin-2-one.
What is the SMILES notation for 1-(3-methoxybutan-2-yloxymethyl)azetidin-2-one?
The canonical SMILES for 1-(3-methoxybutan-2-yloxymethyl)azetidin-2-one is COC(C)C(C)OCN1CCC1=O.
What is the InChIKey of 1-(3-methoxybutan-2-yloxymethyl)azetidin-2-one?
The InChIKey is MLRMKQKORQFLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(12-3)8(2)13-6-10-5-4-9(10)11/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-(3-methoxybutan-2-yloxymethyl)azetidin-2-one?
1-(3-methoxybutan-2-yloxymethyl)azetidin-2-one has a molecular weight of 187.24 g/mol, XLogP of 0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxybutan-2-yloxymethyl)azetidin-2-one is sourced from PubChem (CID 148506540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).