3-(9-oxo-8-azaspiro[4.5]decan-8-yl)propanal

C12H19NO2 — CID 130815700

IUPAC3-(9-oxo-8-azaspiro[4.5]decan-8-yl)propanal
SMILESO=CCCN1CCC2(CCCC2)CC1=O
InChIInChI=1S/C12H19NO2/c14-9-3-7-13-8-6-12(10-11(13)15)4-1-2-5-12/h9H,1-8,10H2
InChIKeyISXSMDYTJCENSA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.76
Rot. Bonds3

About 3-(9-oxo-8-azaspiro[4.5]decan-8-yl)propanal

3-(9-oxo-8-azaspiro[4.5]decan-8-yl)propanal (PubChem CID 130815700) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(9-oxo-8-azaspiro[4.5]decan-8-yl)propanal.

Molecular Properties

Compound Name3-(9-oxo-8-azaspiro[4.5]decan-8-yl)propanal
PubChem CID130815700
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-(9-oxo-8-azaspiro[4.5]decan-8-yl)propanal
SMILESO=CCCN1CCC2(CCCC2)CC1=O
InChIInChI=1S/C12H19NO2/c14-9-3-7-13-8-6-12(10-11(13)15)4-1-2-5-12/h9H,1-8,10H2
InChIKeyISXSMDYTJCENSA-UHFFFAOYSA-N
XLogP1.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(9-oxo-8-azaspiro[4.5]decan-8-yl)propanal?
The IUPAC name of 3-(9-oxo-8-azaspiro[4.5]decan-8-yl)propanal (CID 130815700) is 3-(9-oxo-8-azaspiro[4.5]decan-8-yl)propanal.
What is the SMILES notation for 3-(9-oxo-8-azaspiro[4.5]decan-8-yl)propanal?
The canonical SMILES for 3-(9-oxo-8-azaspiro[4.5]decan-8-yl)propanal is O=CCCN1CCC2(CCCC2)CC1=O.
What is the InChIKey of 3-(9-oxo-8-azaspiro[4.5]decan-8-yl)propanal?
The InChIKey is ISXSMDYTJCENSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-9-3-7-13-8-6-12(10-11(13)15)4-1-2-5-12/h9H,1-8,10H2.
What are the key properties of 3-(9-oxo-8-azaspiro[4.5]decan-8-yl)propanal?
3-(9-oxo-8-azaspiro[4.5]decan-8-yl)propanal has a molecular weight of 209.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-oxo-8-azaspiro[4.5]decan-8-yl)propanal is sourced from PubChem (CID 130815700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).