4-amino-1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one

C13H23N3O2 — CID 79967403

IUPAC4-amino-1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC(C)C1CC2(CCO1)C(N)=NC(=O)N2C(C)C
InChIInChI=1S/C13H23N3O2/c1-8(2)10-7-13(5-6-18-10)11(14)15-12(17)16(13)9(3)4/h8-10H,5-7H2,1-4H3,(H2,14,15,17)
InChIKeyQOAKXEFEZZDPEI-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.76
Rot. Bonds2

About 4-amino-1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79967403) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-amino-1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79967403
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-amino-1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC(C)C1CC2(CCO1)C(N)=NC(=O)N2C(C)C
InChIInChI=1S/C13H23N3O2/c1-8(2)10-7-13(5-6-18-10)11(14)15-12(17)16(13)9(3)4/h8-10H,5-7H2,1-4H3,(H2,14,15,17)
InChIKeyQOAKXEFEZZDPEI-UHFFFAOYSA-N
XLogP1.76
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79967403) is 4-amino-1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one is CC(C)C1CC2(CCO1)C(N)=NC(=O)N2C(C)C.
What is the InChIKey of 4-amino-1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is QOAKXEFEZZDPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-8(2)10-7-13(5-6-18-10)11(14)15-12(17)16(13)9(3)4/h8-10H,5-7H2,1-4H3,(H2,14,15,17).
What are the key properties of 4-amino-1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 253.35 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79967403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).