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

C10H17N3O2 — CID 79959921

IUPAC4-amino-7-ethyl-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCCC1CC2(CCO1)C(N)=NC(=O)N2C
InChIInChI=1S/C10H17N3O2/c1-3-7-6-10(4-5-15-7)8(11)12-9(14)13(10)2/h7H,3-6H2,1-2H3,(H2,11,12,14)
InChIKeyNHBBRCWWWYBWQA-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.74
Rot. Bonds1

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

4-amino-7-ethyl-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79959921) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-amino-7-ethyl-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-7-ethyl-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79959921
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-amino-7-ethyl-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCCC1CC2(CCO1)C(N)=NC(=O)N2C
InChIInChI=1S/C10H17N3O2/c1-3-7-6-10(4-5-15-7)8(11)12-9(14)13(10)2/h7H,3-6H2,1-2H3,(H2,11,12,14)
InChIKeyNHBBRCWWWYBWQA-UHFFFAOYSA-N
XLogP0.74
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-7-ethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959431
4-Amino-1-(2-methylpropyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959490
4-Amino-1,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959716
4-Amino-1-cyclopropyl-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959863
4-Amino-1,7,7-trimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959910
4-Amino-1-cyclopropyl-7-ethyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960064
4-Amino-7,7-dimethyl-1-propyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960073
4-Amino-1-cyclopropyl-7-ethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960268
4-Amino-1-cyclopropyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960463
4-Amino-7-ethyl-1-propyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960485
4-Amino-1-methyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79960517
4-Amino-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960524

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-ethyl-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-7-ethyl-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79959921) is 4-amino-7-ethyl-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-7-ethyl-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-7-ethyl-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one is CCC1CC2(CCO1)C(N)=NC(=O)N2C.
What is the InChIKey of 4-amino-7-ethyl-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is NHBBRCWWWYBWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-7-6-10(4-5-15-7)8(11)12-9(14)13(10)2/h7H,3-6H2,1-2H3,(H2,11,12,14).
What are the key properties of 4-amino-7-ethyl-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-7-ethyl-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 211.26 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-ethyl-1-methyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79959921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).