2-amino-8,8-dimethyl-1,3-diazaspiro[4.4]non-1-en-4-one

C9H15N3O — CID 82996611

IUPAC2-amino-8,8-dimethyl-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCC1(C)CCC2(C1)N=C(N)NC2=O
InChIInChI=1S/C9H15N3O/c1-8(2)3-4-9(5-8)6(13)11-7(10)12-9/h3-5H2,1-2H3,(H3,10,11,12,13)
InChIKeyJHBAWMQOAXPWPK-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.38
Rot. Bonds

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

2-amino-8,8-dimethyl-1,3-diazaspiro[4.4]non-1-en-4-one (PubChem CID 82996611) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-amino-8,8-dimethyl-1,3-diazaspiro[4.4]non-1-en-4-one.

Molecular Properties

Compound Name2-amino-8,8-dimethyl-1,3-diazaspiro[4.4]non-1-en-4-one
PubChem CID82996611
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-amino-8,8-dimethyl-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCC1(C)CCC2(C1)N=C(N)NC2=O
InChIInChI=1S/C9H15N3O/c1-8(2)3-4-9(5-8)6(13)11-7(10)12-9/h3-5H2,1-2H3,(H3,10,11,12,13)
InChIKeyJHBAWMQOAXPWPK-UHFFFAOYSA-N
XLogP0.38
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 82997095
2-amino-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-1-en-4-one
CID 82996602
2-amino-6,8,8-trimethyl-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 82996861
2'-aminospiro[1,3-dihydroindene-2,4'-1H-imidazole]-5'-one
CID 10856526
2-amino-4-ethyl-4-methyl-1H-imidazol-5-one
CID 82996871
(1S,11S)-7,7,11,13,13-pentamethyl-2,4-diazatetracyclo[7.5.1.11,11.05,15]hexadeca-2,5(15),9-trien-3-amine
CID 99645025
2-amino-4-(3,5-difluorophenyl)-4-methyl-1H-imidazol-5-one
CID 82996465
2-amino-4-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-one
CID 82997997
2-amino-4-methyl-4-(2-methylphenyl)-1H-imidazol-5-one
CID 82997474
2-amino-6,9-dimethyl-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 82996603
2-amino-4-(4-tert-butylphenyl)-4-methyl-1H-imidazol-5-one
CID 82997227
2-amino-4-(2-methoxy-2-methylpropyl)-4-methyl-1H-imidazol-5-one
CID 82996623

Frequently Asked Questions

What is the IUPAC name of 2-amino-8,8-dimethyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The IUPAC name of 2-amino-8,8-dimethyl-1,3-diazaspiro[4.4]non-1-en-4-one (CID 82996611) is 2-amino-8,8-dimethyl-1,3-diazaspiro[4.4]non-1-en-4-one.
What is the SMILES notation for 2-amino-8,8-dimethyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The canonical SMILES for 2-amino-8,8-dimethyl-1,3-diazaspiro[4.4]non-1-en-4-one is CC1(C)CCC2(C1)N=C(N)NC2=O.
What is the InChIKey of 2-amino-8,8-dimethyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The InChIKey is JHBAWMQOAXPWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-8(2)3-4-9(5-8)6(13)11-7(10)12-9/h3-5H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 2-amino-8,8-dimethyl-1,3-diazaspiro[4.4]non-1-en-4-one?
2-amino-8,8-dimethyl-1,3-diazaspiro[4.4]non-1-en-4-one has a molecular weight of 181.24 g/mol, XLogP of 0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8,8-dimethyl-1,3-diazaspiro[4.4]non-1-en-4-one is sourced from PubChem (CID 82996611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).