(3R)-1-oxo-2-azaspiro[4.5]decane-3-carbaldehyde

C10H15NO2 — CID 176715899

IUPAC(3R)-1-oxo-2-azaspiro[4.5]decane-3-carbaldehyde
SMILESO=C[C@H]1CC2(CCCCC2)C(=O)N1
InChIInChI=1S/C10H15NO2/c12-7-8-6-10(9(13)11-8)4-2-1-3-5-10/h7-8H,1-6H2,(H,11,13)/t8-/m1/s1
InChIKeyCCHMEXIURYPAPN-MRVPVSSYSA-N
MW181.23 g/mol
LogP1.02
Rot. Bonds1

About (3R)-1-oxo-2-azaspiro[4.5]decane-3-carbaldehyde

(3R)-1-oxo-2-azaspiro[4.5]decane-3-carbaldehyde (PubChem CID 176715899) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (3R)-1-oxo-2-azaspiro[4.5]decane-3-carbaldehyde.

Molecular Properties

Compound Name(3R)-1-oxo-2-azaspiro[4.5]decane-3-carbaldehyde
PubChem CID176715899
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(3R)-1-oxo-2-azaspiro[4.5]decane-3-carbaldehyde
SMILESO=C[C@H]1CC2(CCCCC2)C(=O)N1
InChIInChI=1S/C10H15NO2/c12-7-8-6-10(9(13)11-8)4-2-1-3-5-10/h7-8H,1-6H2,(H,11,13)/t8-/m1/s1
InChIKeyCCHMEXIURYPAPN-MRVPVSSYSA-N
XLogP1.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-propan-2-yl-2-azaspiro[4.5]decan-1-one
CID 168986855
(7R)-7-methyl-6-azaspiro[3.4]octan-5-one
CID 155819762
3-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 130888250
ethane;6-methyl-5-azaspiro[2.4]heptan-4-one
CID 178006224
3,7-diazatricyclo[3.3.3.01,5]undecane-2,4,6,8-tetrone
CID 71358860
9-azaspiro[6.10]heptadecane-8,10-dione
CID 69440147
3-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 132647894
3-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-1-one
CID 167580346
spiro[13.14]octacosan-28-one
CID 12738452
ethyl 2-methyl-2-(3-methyl-1-oxo-2,54-diazaspiro[4.51]hexapentacontan-54-yl)propanoate
CID 90463215
(1S)-1-propan-2-yl-2-azaspiro[3.5]nonan-3-one
CID 125181029
1-azaspiro[5.5]undecane-3-carbaldehyde
CID 123930535

Frequently Asked Questions

What is the IUPAC name of (3R)-1-oxo-2-azaspiro[4.5]decane-3-carbaldehyde?
The IUPAC name of (3R)-1-oxo-2-azaspiro[4.5]decane-3-carbaldehyde (CID 176715899) is (3R)-1-oxo-2-azaspiro[4.5]decane-3-carbaldehyde.
What is the SMILES notation for (3R)-1-oxo-2-azaspiro[4.5]decane-3-carbaldehyde?
The canonical SMILES for (3R)-1-oxo-2-azaspiro[4.5]decane-3-carbaldehyde is O=C[C@H]1CC2(CCCCC2)C(=O)N1.
What is the InChIKey of (3R)-1-oxo-2-azaspiro[4.5]decane-3-carbaldehyde?
The InChIKey is CCHMEXIURYPAPN-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-7-8-6-10(9(13)11-8)4-2-1-3-5-10/h7-8H,1-6H2,(H,11,13)/t8-/m1/s1.
What are the key properties of (3R)-1-oxo-2-azaspiro[4.5]decane-3-carbaldehyde?
(3R)-1-oxo-2-azaspiro[4.5]decane-3-carbaldehyde has a molecular weight of 181.23 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-oxo-2-azaspiro[4.5]decane-3-carbaldehyde is sourced from PubChem (CID 176715899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).