7-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one

C8H13NO3 — CID 165131645

IUPAC7-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one
SMILESCC(C)N1CC2(COC2)OC1=O
InChIInChI=1S/C8H13NO3/c1-6(2)9-3-8(4-11-5-8)12-7(9)10/h6H,3-5H2,1-2H3
InChIKeyXJFIKIAGOITOMN-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.62
Rot. Bonds1

About 7-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one

7-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one (PubChem CID 165131645) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 7-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name7-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one
PubChem CID165131645
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name7-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one
SMILESCC(C)N1CC2(COC2)OC1=O
InChIInChI=1S/C8H13NO3/c1-6(2)9-3-8(4-11-5-8)12-7(9)10/h6H,3-5H2,1-2H3
InChIKeyXJFIKIAGOITOMN-UHFFFAOYSA-N
XLogP0.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one?
The IUPAC name of 7-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one (CID 165131645) is 7-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one.
What is the SMILES notation for 7-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one?
The canonical SMILES for 7-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one is CC(C)N1CC2(COC2)OC1=O.
What is the InChIKey of 7-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one?
The InChIKey is XJFIKIAGOITOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-6(2)9-3-8(4-11-5-8)12-7(9)10/h6H,3-5H2,1-2H3.
What are the key properties of 7-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one?
7-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one has a molecular weight of 171.20 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one is sourced from PubChem (CID 165131645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).