4-propan-2-yl-7-oxa-4-azaspiro[2.5]octan-5-one

C9H15NO2 — CID 126705480

IUPAC4-propan-2-yl-7-oxa-4-azaspiro[2.5]octan-5-one
SMILESCC(C)N1C(=O)COCC12CC2
InChIInChI=1S/C9H15NO2/c1-7(2)10-8(11)5-12-6-9(10)3-4-9/h7H,3-6H2,1-2H3
InChIKeyHDUUQGKTEXVTED-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.79
Rot. Bonds1

About 4-propan-2-yl-7-oxa-4-azaspiro[2.5]octan-5-one

4-propan-2-yl-7-oxa-4-azaspiro[2.5]octan-5-one (PubChem CID 126705480) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-propan-2-yl-7-oxa-4-azaspiro[2.5]octan-5-one.

Molecular Properties

Compound Name4-propan-2-yl-7-oxa-4-azaspiro[2.5]octan-5-one
PubChem CID126705480
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-propan-2-yl-7-oxa-4-azaspiro[2.5]octan-5-one
SMILESCC(C)N1C(=O)COCC12CC2
InChIInChI=1S/C9H15NO2/c1-7(2)10-8(11)5-12-6-9(10)3-4-9/h7H,3-6H2,1-2H3
InChIKeyHDUUQGKTEXVTED-UHFFFAOYSA-N
XLogP0.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-7-oxa-4-azaspiro[2.5]octan-5-one?
The IUPAC name of 4-propan-2-yl-7-oxa-4-azaspiro[2.5]octan-5-one (CID 126705480) is 4-propan-2-yl-7-oxa-4-azaspiro[2.5]octan-5-one.
What is the SMILES notation for 4-propan-2-yl-7-oxa-4-azaspiro[2.5]octan-5-one?
The canonical SMILES for 4-propan-2-yl-7-oxa-4-azaspiro[2.5]octan-5-one is CC(C)N1C(=O)COCC12CC2.
What is the InChIKey of 4-propan-2-yl-7-oxa-4-azaspiro[2.5]octan-5-one?
The InChIKey is HDUUQGKTEXVTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(2)10-8(11)5-12-6-9(10)3-4-9/h7H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-yl-7-oxa-4-azaspiro[2.5]octan-5-one?
4-propan-2-yl-7-oxa-4-azaspiro[2.5]octan-5-one has a molecular weight of 169.22 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-7-oxa-4-azaspiro[2.5]octan-5-one is sourced from PubChem (CID 126705480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).