1-(3-methoxybutan-2-yloxymethyl)azetidine-2,4-dione

C9H15NO4 — CID 147957416

IUPAC1-(3-methoxybutan-2-yloxymethyl)azetidine-2,4-dione
SMILESCOC(C)C(C)OCN1C(=O)CC1=O
InChIInChI=1S/C9H15NO4/c1-6(13-3)7(2)14-5-10-8(11)4-9(10)12/h6-7H,4-5H2,1-3H3
InChIKeyIOUODEWWMRKHQC-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.14
Rot. Bonds5

About 1-(3-methoxybutan-2-yloxymethyl)azetidine-2,4-dione

1-(3-methoxybutan-2-yloxymethyl)azetidine-2,4-dione (PubChem CID 147957416) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(3-methoxybutan-2-yloxymethyl)azetidine-2,4-dione.

Molecular Properties

Compound Name1-(3-methoxybutan-2-yloxymethyl)azetidine-2,4-dione
PubChem CID147957416
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-(3-methoxybutan-2-yloxymethyl)azetidine-2,4-dione
SMILESCOC(C)C(C)OCN1C(=O)CC1=O
InChIInChI=1S/C9H15NO4/c1-6(13-3)7(2)14-5-10-8(11)4-9(10)12/h6-7H,4-5H2,1-3H3
InChIKeyIOUODEWWMRKHQC-UHFFFAOYSA-N
XLogP0.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxybutan-2-yloxymethyl)azetidin-2-one
CID 148506540
3-[(2R)-3-methoxybutan-2-yl]imidazolidine-2,4-dione
CID 126986060
1-(2,2-dimethoxyethyl)azepane-2,7-dione
CID 60976210
4-(2,2-dimethoxyethyl)morpholine-3,5-dione
CID 60976068
methane;2-methoxy-3-(2-methoxyethoxy)butane
CID 161202755
3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
CID 103601173
1-bromo-3-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione
CID 86590511
1-(2-ethoxy-2-methoxyethyl)pyrrolidin-2-one
CID 155174816
[2-methoxy-3-(2,4,6-trioxo-1,3-diazinan-1-yl)propyl]mercury;hydrate
CID 24840018
1-pentylazetidine-2,4-dione
CID 69124184
2-(3-methoxybutan-2-yloxy)ethyl hydrogen sulfate
CID 155771758
1-chloro-3-(2-methylbutyl)-1,3-diazinane-2,4,6-trione
CID 170533519

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxybutan-2-yloxymethyl)azetidine-2,4-dione?
The IUPAC name of 1-(3-methoxybutan-2-yloxymethyl)azetidine-2,4-dione (CID 147957416) is 1-(3-methoxybutan-2-yloxymethyl)azetidine-2,4-dione.
What is the SMILES notation for 1-(3-methoxybutan-2-yloxymethyl)azetidine-2,4-dione?
The canonical SMILES for 1-(3-methoxybutan-2-yloxymethyl)azetidine-2,4-dione is COC(C)C(C)OCN1C(=O)CC1=O.
What is the InChIKey of 1-(3-methoxybutan-2-yloxymethyl)azetidine-2,4-dione?
The InChIKey is IOUODEWWMRKHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-6(13-3)7(2)14-5-10-8(11)4-9(10)12/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-(3-methoxybutan-2-yloxymethyl)azetidine-2,4-dione?
1-(3-methoxybutan-2-yloxymethyl)azetidine-2,4-dione has a molecular weight of 201.22 g/mol, XLogP of 0.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxybutan-2-yloxymethyl)azetidine-2,4-dione is sourced from PubChem (CID 147957416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).