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

C13H21N3O2 — CID 79960064

IUPAC4-amino-1-cyclopropyl-7-ethyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCCC1(C)CC2(CCO1)C(N)=NC(=O)N2C1CC1
InChIInChI=1S/C13H21N3O2/c1-3-12(2)8-13(6-7-18-12)10(14)15-11(17)16(13)9-4-5-9/h9H,3-8H2,1-2H3,(H2,14,15,17)
InChIKeyDMISJOLQBYFIFH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.66
Rot. Bonds2

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

4-amino-1-cyclopropyl-7-ethyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79960064) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-7-ethyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-7-ethyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79960064
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-amino-1-cyclopropyl-7-ethyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCCC1(C)CC2(CCO1)C(N)=NC(=O)N2C1CC1
InChIInChI=1S/C13H21N3O2/c1-3-12(2)8-13(6-7-18-12)10(14)15-11(17)16(13)9-4-5-9/h9H,3-8H2,1-2H3,(H2,14,15,17)
InChIKeyDMISJOLQBYFIFH-UHFFFAOYSA-N
XLogP1.66
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-7-ethyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-cyclopropyl-7-ethyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79960064) is 4-amino-1-cyclopropyl-7-ethyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-cyclopropyl-7-ethyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-cyclopropyl-7-ethyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one is CCC1(C)CC2(CCO1)C(N)=NC(=O)N2C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-7-ethyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is DMISJOLQBYFIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-12(2)8-13(6-7-18-12)10(14)15-11(17)16(13)9-4-5-9/h9H,3-8H2,1-2H3,(H2,14,15,17).
What are the key properties of 4-amino-1-cyclopropyl-7-ethyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1-cyclopropyl-7-ethyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 251.33 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-7-ethyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79960064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).