4-amino-7-ethyl-7-methyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one

C13H23N3O2 — CID 79968352

IUPAC4-amino-7-ethyl-7-methyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCCC1(C)CC2(CCO1)C(N)=NC(=O)N2C(C)C
InChIInChI=1S/C13H23N3O2/c1-5-12(4)8-13(6-7-18-12)10(14)15-11(17)16(13)9(2)3/h9H,5-8H2,1-4H3,(H2,14,15,17)
InChIKeyNOAAUJCCXBUADX-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.91
Rot. Bonds2

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

4-amino-7-ethyl-7-methyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79968352) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-amino-7-ethyl-7-methyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-7-ethyl-7-methyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79968352
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-amino-7-ethyl-7-methyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCCC1(C)CC2(CCO1)C(N)=NC(=O)N2C(C)C
InChIInChI=1S/C13H23N3O2/c1-5-12(4)8-13(6-7-18-12)10(14)15-11(17)16(13)9(2)3/h9H,5-8H2,1-4H3,(H2,14,15,17)
InChIKeyNOAAUJCCXBUADX-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-ethyl-7-methyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-7-ethyl-7-methyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79968352) is 4-amino-7-ethyl-7-methyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-7-ethyl-7-methyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-7-ethyl-7-methyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one is CCC1(C)CC2(CCO1)C(N)=NC(=O)N2C(C)C.
What is the InChIKey of 4-amino-7-ethyl-7-methyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is NOAAUJCCXBUADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-12(4)8-13(6-7-18-12)10(14)15-11(17)16(13)9(2)3/h9H,5-8H2,1-4H3,(H2,14,15,17).
What are the key properties of 4-amino-7-ethyl-7-methyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-7-ethyl-7-methyl-1-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 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-ethyl-7-methyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79968352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).