4-amino-8-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]non-3-en-2-one

C12H21N3O — CID 79967026

IUPAC4-amino-8-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESCCC1CCC2(C1)C(N)=NC(=O)N2C(C)C
InChIInChI=1S/C12H21N3O/c1-4-9-5-6-12(7-9)10(13)14-11(16)15(12)8(2)3/h8-9H,4-7H2,1-3H3,(H2,13,14,16)
InChIKeyNRGSSEVJYQYRCA-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.14
Rot. Bonds2

About 4-amino-8-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]non-3-en-2-one

4-amino-8-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]non-3-en-2-one (PubChem CID 79967026) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-amino-8-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name4-amino-8-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]non-3-en-2-one
PubChem CID79967026
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-amino-8-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESCCC1CCC2(C1)C(N)=NC(=O)N2C(C)C
InChIInChI=1S/C12H21N3O/c1-4-9-5-6-12(7-9)10(13)14-11(16)15(12)8(2)3/h8-9H,4-7H2,1-3H3,(H2,13,14,16)
InChIKeyNRGSSEVJYQYRCA-UHFFFAOYSA-N
XLogP2.14
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]non-3-en-2-one?
The IUPAC name of 4-amino-8-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]non-3-en-2-one (CID 79967026) is 4-amino-8-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 4-amino-8-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 4-amino-8-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]non-3-en-2-one is CCC1CCC2(C1)C(N)=NC(=O)N2C(C)C.
What is the InChIKey of 4-amino-8-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]non-3-en-2-one?
The InChIKey is NRGSSEVJYQYRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-9-5-6-12(7-9)10(13)14-11(16)15(12)8(2)3/h8-9H,4-7H2,1-3H3,(H2,13,14,16).
What are the key properties of 4-amino-8-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]non-3-en-2-one?
4-amino-8-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]non-3-en-2-one has a molecular weight of 223.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 79967026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).