2-(1-methyl-3-oxo-8-oxa-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde

C10H16N2O3 — CID 105465895

IUPAC2-(1-methyl-3-oxo-8-oxa-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde
SMILESCN1N(CC=O)C(=O)CC12CCOCC2
InChIInChI=1S/C10H16N2O3/c1-11-10(2-6-15-7-3-10)8-9(14)12(11)4-5-13/h5H,2-4,6-8H2,1H3
InChIKeyGXBDIRBNPYOIDH-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.19
Rot. Bonds2

About 2-(1-methyl-3-oxo-8-oxa-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde

2-(1-methyl-3-oxo-8-oxa-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde (PubChem CID 105465895) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(1-methyl-3-oxo-8-oxa-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-methyl-3-oxo-8-oxa-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde
PubChem CID105465895
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-(1-methyl-3-oxo-8-oxa-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde
SMILESCN1N(CC=O)C(=O)CC12CCOCC2
InChIInChI=1S/C10H16N2O3/c1-11-10(2-6-15-7-3-10)8-9(14)12(11)4-5-13/h5H,2-4,6-8H2,1H3
InChIKeyGXBDIRBNPYOIDH-UHFFFAOYSA-N
XLogP-0.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-methyl-6-(3-oxobutyl)-5,6-diazaspiro[3.4]octan-7-one
CID 105464207
5-(3-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one
CID 105441177
5-(2-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one
CID 105441178
2-(1-methyl-3-oxo-1,2-diazaspiro[4.4]nonan-2-yl)acetic acid
CID 105465896
6-methyl-2-oxa-6-azaspiro[4.5]decan-9-one
CID 131616804
4-(dimethylamino)oxane-4-carbaldehyde
CID 115012260
4-imino-1-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
CID 138389399
1-[4-(aminomethyl)oxan-4-yl]-4,4-dimethylpiperidine-2,6-dione
CID 114170682
3-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propanal
CID 130727536
2-(4-methoxyoxan-4-yl)acetaldehyde
CID 105430923
2-(4-methyl-2,5-dioxopiperazin-1-yl)acetaldehyde
CID 79942571
3-(5,5-dimethyl-3-oxo-1,2-oxazolidin-2-yl)propanal
CID 105434715

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3-oxo-8-oxa-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde?
The IUPAC name of 2-(1-methyl-3-oxo-8-oxa-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde (CID 105465895) is 2-(1-methyl-3-oxo-8-oxa-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde.
What is the SMILES notation for 2-(1-methyl-3-oxo-8-oxa-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde?
The canonical SMILES for 2-(1-methyl-3-oxo-8-oxa-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde is CN1N(CC=O)C(=O)CC12CCOCC2.
What is the InChIKey of 2-(1-methyl-3-oxo-8-oxa-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde?
The InChIKey is GXBDIRBNPYOIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-11-10(2-6-15-7-3-10)8-9(14)12(11)4-5-13/h5H,2-4,6-8H2,1H3.
What are the key properties of 2-(1-methyl-3-oxo-8-oxa-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde?
2-(1-methyl-3-oxo-8-oxa-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde has a molecular weight of 212.25 g/mol, XLogP of -0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-oxo-8-oxa-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde is sourced from PubChem (CID 105465895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).