6-amino-2-propan-2-yl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one

C9H14N2O2 — CID 103565791

IUPAC6-amino-2-propan-2-yl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one
SMILESCC(C)C1CC2(C1)OC(N)=NC2=O
InChIInChI=1S/C9H14N2O2/c1-5(2)6-3-9(4-6)7(12)11-8(10)13-9/h5-6H,3-4H2,1-2H3,(H2,10,11,12)
InChIKeyCGIJELRQPHRXAB-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.66
Rot. Bonds1

About 6-amino-2-propan-2-yl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one

6-amino-2-propan-2-yl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one (PubChem CID 103565791) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 6-amino-2-propan-2-yl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one.

Molecular Properties

Compound Name6-amino-2-propan-2-yl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one
PubChem CID103565791
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name6-amino-2-propan-2-yl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one
SMILESCC(C)C1CC2(C1)OC(N)=NC2=O
InChIInChI=1S/C9H14N2O2/c1-5(2)6-3-9(4-6)7(12)11-8(10)13-9/h5-6H,3-4H2,1-2H3,(H2,10,11,12)
InChIKeyCGIJELRQPHRXAB-UHFFFAOYSA-N
XLogP0.66
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-propan-2-yl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one?
The IUPAC name of 6-amino-2-propan-2-yl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one (CID 103565791) is 6-amino-2-propan-2-yl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one.
What is the SMILES notation for 6-amino-2-propan-2-yl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one?
The canonical SMILES for 6-amino-2-propan-2-yl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one is CC(C)C1CC2(C1)OC(N)=NC2=O.
What is the InChIKey of 6-amino-2-propan-2-yl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one?
The InChIKey is CGIJELRQPHRXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5(2)6-3-9(4-6)7(12)11-8(10)13-9/h5-6H,3-4H2,1-2H3,(H2,10,11,12).
What are the key properties of 6-amino-2-propan-2-yl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one?
6-amino-2-propan-2-yl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one has a molecular weight of 182.22 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-propan-2-yl-5-oxa-7-azaspiro[3.4]oct-6-en-8-one is sourced from PubChem (CID 103565791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).