2-methyl-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanal

C12H20N2O2 — CID 86709537

IUPAC2-methyl-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanal
SMILESCC(C)(C=O)N1CCC2(CCNC2=O)CC1
InChIInChI=1S/C12H20N2O2/c1-11(2,9-15)14-7-4-12(5-8-14)3-6-13-10(12)16/h9H,3-8H2,1-2H3,(H,13,16)
InChIKeyNCSMUEJFIOWMCE-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.57
Rot. Bonds2

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

2-methyl-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanal (PubChem CID 86709537) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-methyl-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanal.

Molecular Properties

Compound Name2-methyl-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanal
PubChem CID86709537
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-methyl-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanal
SMILESCC(C)(C=O)N1CCC2(CCNC2=O)CC1
InChIInChI=1S/C12H20N2O2/c1-11(2,9-15)14-7-4-12(5-8-14)3-6-13-10(12)16/h9H,3-8H2,1-2H3,(H,13,16)
InChIKeyNCSMUEJFIOWMCE-UHFFFAOYSA-N
XLogP0.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanal?
The IUPAC name of 2-methyl-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanal (CID 86709537) is 2-methyl-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanal.
What is the SMILES notation for 2-methyl-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanal?
The canonical SMILES for 2-methyl-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanal is CC(C)(C=O)N1CCC2(CCNC2=O)CC1.
What is the InChIKey of 2-methyl-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanal?
The InChIKey is NCSMUEJFIOWMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-11(2,9-15)14-7-4-12(5-8-14)3-6-13-10(12)16/h9H,3-8H2,1-2H3,(H,13,16).
What are the key properties of 2-methyl-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanal?
2-methyl-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanal has a molecular weight of 224.30 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)propanal is sourced from PubChem (CID 86709537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).