1-propyl-7-oxa-1-azaspiro[4.4]nonan-4-one

C10H17NO2 — CID 165461992

IUPAC1-propyl-7-oxa-1-azaspiro[4.4]nonan-4-one
SMILESCCCN1CCC(=O)C12CCOC2
InChIInChI=1S/C10H17NO2/c1-2-5-11-6-3-9(12)10(11)4-7-13-8-10/h2-8H2,1H3
InChIKeyCMUCXBWUVMRPHY-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.83
Rot. Bonds2

About 1-propyl-7-oxa-1-azaspiro[4.4]nonan-4-one

1-propyl-7-oxa-1-azaspiro[4.4]nonan-4-one (PubChem CID 165461992) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-propyl-7-oxa-1-azaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name1-propyl-7-oxa-1-azaspiro[4.4]nonan-4-one
PubChem CID165461992
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-propyl-7-oxa-1-azaspiro[4.4]nonan-4-one
SMILESCCCN1CCC(=O)C12CCOC2
InChIInChI=1S/C10H17NO2/c1-2-5-11-6-3-9(12)10(11)4-7-13-8-10/h2-8H2,1H3
InChIKeyCMUCXBWUVMRPHY-UHFFFAOYSA-N
XLogP0.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-7-oxa-1-azaspiro[4.4]nonan-4-one?
The IUPAC name of 1-propyl-7-oxa-1-azaspiro[4.4]nonan-4-one (CID 165461992) is 1-propyl-7-oxa-1-azaspiro[4.4]nonan-4-one.
What is the SMILES notation for 1-propyl-7-oxa-1-azaspiro[4.4]nonan-4-one?
The canonical SMILES for 1-propyl-7-oxa-1-azaspiro[4.4]nonan-4-one is CCCN1CCC(=O)C12CCOC2.
What is the InChIKey of 1-propyl-7-oxa-1-azaspiro[4.4]nonan-4-one?
The InChIKey is CMUCXBWUVMRPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-5-11-6-3-9(12)10(11)4-7-13-8-10/h2-8H2,1H3.
What are the key properties of 1-propyl-7-oxa-1-azaspiro[4.4]nonan-4-one?
1-propyl-7-oxa-1-azaspiro[4.4]nonan-4-one has a molecular weight of 183.25 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-7-oxa-1-azaspiro[4.4]nonan-4-one is sourced from PubChem (CID 165461992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).