4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one

C12H22N2O2 — CID 97399284

IUPAC4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one
SMILESCC(C)CCC(=O)N1CCOC2(CNC2)C1
InChIInChI=1S/C12H22N2O2/c1-10(2)3-4-11(15)14-5-6-16-12(9-14)7-13-8-12/h10,13H,3-9H2,1-2H3
InChIKeyPCMIHMPELFLSSI-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.62
Rot. Bonds3

About 4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one

4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one (PubChem CID 97399284) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one
PubChem CID97399284
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one
SMILESCC(C)CCC(=O)N1CCOC2(CNC2)C1
InChIInChI=1S/C12H22N2O2/c1-10(2)3-4-11(15)14-5-6-16-12(9-14)7-13-8-12/h10,13H,3-9H2,1-2H3
InChIKeyPCMIHMPELFLSSI-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one?
The IUPAC name of 4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one (CID 97399284) is 4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one.
What is the SMILES notation for 4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one?
The canonical SMILES for 4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one is CC(C)CCC(=O)N1CCOC2(CNC2)C1.
What is the InChIKey of 4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one?
The InChIKey is PCMIHMPELFLSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(2)3-4-11(15)14-5-6-16-12(9-14)7-13-8-12/h10,13H,3-9H2,1-2H3.
What are the key properties of 4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one?
4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one has a molecular weight of 226.32 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one is sourced from PubChem (CID 97399284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).