1-(8-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one

C11H17NO4 — CID 142110435

IUPAC1-(8-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one
SMILESCCC(=O)N1CC2(CC1C(C)=O)OCCO2
InChIInChI=1S/C11H17NO4/c1-3-10(14)12-7-11(15-4-5-16-11)6-9(12)8(2)13/h9H,3-7H2,1-2H3
InChIKeyFQLOAIYGOLFVBH-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.33
Rot. Bonds2

About 1-(8-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one

1-(8-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one (PubChem CID 142110435) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(8-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one.

Molecular Properties

Compound Name1-(8-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one
PubChem CID142110435
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name1-(8-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one
SMILESCCC(=O)N1CC2(CC1C(C)=O)OCCO2
InChIInChI=1S/C11H17NO4/c1-3-10(14)12-7-11(15-4-5-16-11)6-9(12)8(2)13/h9H,3-7H2,1-2H3
InChIKeyFQLOAIYGOLFVBH-UHFFFAOYSA-N
XLogP0.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(8-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 3-oxo-3-[6-(2-oxopropyl)-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]propanoate
CID 135009600
Methyl 2-acetyl-4-ethoxypyrrolidine-1-carboxylate
CID 21139275
(8S)-1,4-dioxa-7-azaspiro[4.4]nonane-7,8-dicarbaldehyde
CID 58807880
1-[(8S)-7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]ethanone
CID 67561539
tert-butyl (2R)-2-acetyl-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrrolidine-1-carboxylate
CID 71021095
7-O-tert-butyl 8-O-methyl (8S)-1,4-dioxa-7-azaspiro[4.4]nonane-7,8-dicarboxylate
CID 71743230
1-(7-Acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl)ethanone
CID 77314024
(3S)-3-acetyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carbaldehyde
CID 89380119
8-Methoxycarbonyl-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylic acid
CID 90158552
1-[(3S)-2-acetyl-6,10-dioxa-2-azaspiro[4.5]decan-3-yl]ethanone
CID 117744497
1-[(3aR,4S,6aS)-5-acetyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethanone
CID 117744547
1-[(3aR,4S,6aS)-5-acetyl-2,2-diethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethanone
CID 117744596

Frequently Asked Questions

What is the IUPAC name of 1-(8-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one?
The IUPAC name of 1-(8-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one (CID 142110435) is 1-(8-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one.
What is the SMILES notation for 1-(8-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one?
The canonical SMILES for 1-(8-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one is CCC(=O)N1CC2(CC1C(C)=O)OCCO2.
What is the InChIKey of 1-(8-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one?
The InChIKey is FQLOAIYGOLFVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-3-10(14)12-7-11(15-4-5-16-11)6-9(12)8(2)13/h9H,3-7H2,1-2H3.
What are the key properties of 1-(8-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one?
1-(8-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one has a molecular weight of 227.26 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one is sourced from PubChem (CID 142110435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).