1,9-dimethyl-2-oxa-7-azaspiro[4.4]nonan-8-one

C9H15NO2 — CID 130855792

IUPAC1,9-dimethyl-2-oxa-7-azaspiro[4.4]nonan-8-one
SMILESCC1OCCC12CNC(=O)C2C
InChIInChI=1S/C9H15NO2/c1-6-8(11)10-5-9(6)3-4-12-7(9)2/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyIPMHDMUSENUPQJ-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.55
Rot. Bonds

About 1,9-dimethyl-2-oxa-7-azaspiro[4.4]nonan-8-one

1,9-dimethyl-2-oxa-7-azaspiro[4.4]nonan-8-one (PubChem CID 130855792) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1,9-dimethyl-2-oxa-7-azaspiro[4.4]nonan-8-one.

Molecular Properties

Compound Name1,9-dimethyl-2-oxa-7-azaspiro[4.4]nonan-8-one
PubChem CID130855792
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1,9-dimethyl-2-oxa-7-azaspiro[4.4]nonan-8-one
SMILESCC1OCCC12CNC(=O)C2C
InChIInChI=1S/C9H15NO2/c1-6-8(11)10-5-9(6)3-4-12-7(9)2/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyIPMHDMUSENUPQJ-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,9-dimethyl-2-oxa-7-azaspiro[4.4]nonan-8-one?
The IUPAC name of 1,9-dimethyl-2-oxa-7-azaspiro[4.4]nonan-8-one (CID 130855792) is 1,9-dimethyl-2-oxa-7-azaspiro[4.4]nonan-8-one.
What is the SMILES notation for 1,9-dimethyl-2-oxa-7-azaspiro[4.4]nonan-8-one?
The canonical SMILES for 1,9-dimethyl-2-oxa-7-azaspiro[4.4]nonan-8-one is CC1OCCC12CNC(=O)C2C.
What is the InChIKey of 1,9-dimethyl-2-oxa-7-azaspiro[4.4]nonan-8-one?
The InChIKey is IPMHDMUSENUPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-8(11)10-5-9(6)3-4-12-7(9)2/h6-7H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 1,9-dimethyl-2-oxa-7-azaspiro[4.4]nonan-8-one?
1,9-dimethyl-2-oxa-7-azaspiro[4.4]nonan-8-one has a molecular weight of 169.22 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethyl-2-oxa-7-azaspiro[4.4]nonan-8-one is sourced from PubChem (CID 130855792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).