5-propan-2-yl-7-oxa-2,5-diazaspiro[3.4]octan-6-one

C8H14N2O2 — CID 105434460

IUPAC5-propan-2-yl-7-oxa-2,5-diazaspiro[3.4]octan-6-one
SMILESCC(C)N1C(=O)OCC12CNC2
InChIInChI=1S/C8H14N2O2/c1-6(2)10-7(11)12-5-8(10)3-9-4-8/h6,9H,3-5H2,1-2H3
InChIKeyXMFIJYRDTXZXMV-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.19
Rot. Bonds1

About 5-propan-2-yl-7-oxa-2,5-diazaspiro[3.4]octan-6-one

5-propan-2-yl-7-oxa-2,5-diazaspiro[3.4]octan-6-one (PubChem CID 105434460) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 5-propan-2-yl-7-oxa-2,5-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name5-propan-2-yl-7-oxa-2,5-diazaspiro[3.4]octan-6-one
PubChem CID105434460
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name5-propan-2-yl-7-oxa-2,5-diazaspiro[3.4]octan-6-one
SMILESCC(C)N1C(=O)OCC12CNC2
InChIInChI=1S/C8H14N2O2/c1-6(2)10-7(11)12-5-8(10)3-9-4-8/h6,9H,3-5H2,1-2H3
InChIKeyXMFIJYRDTXZXMV-UHFFFAOYSA-N
XLogP0.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-7-oxa-2,5-diazaspiro[3.4]octan-6-one?
The IUPAC name of 5-propan-2-yl-7-oxa-2,5-diazaspiro[3.4]octan-6-one (CID 105434460) is 5-propan-2-yl-7-oxa-2,5-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 5-propan-2-yl-7-oxa-2,5-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 5-propan-2-yl-7-oxa-2,5-diazaspiro[3.4]octan-6-one is CC(C)N1C(=O)OCC12CNC2.
What is the InChIKey of 5-propan-2-yl-7-oxa-2,5-diazaspiro[3.4]octan-6-one?
The InChIKey is XMFIJYRDTXZXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(2)10-7(11)12-5-8(10)3-9-4-8/h6,9H,3-5H2,1-2H3.
What are the key properties of 5-propan-2-yl-7-oxa-2,5-diazaspiro[3.4]octan-6-one?
5-propan-2-yl-7-oxa-2,5-diazaspiro[3.4]octan-6-one has a molecular weight of 170.21 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-7-oxa-2,5-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 105434460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).