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

C8H13N3O — CID 82997095

IUPAC2-amino-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCC1CCC2(C1)N=C(N)NC2=O
InChIInChI=1S/C8H13N3O/c1-5-2-3-8(4-5)6(12)10-7(9)11-8/h5H,2-4H2,1H3,(H3,9,10,11,12)
InChIKeyVVHDKVGCABVBRH-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.01
Rot. Bonds

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

2-amino-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one (PubChem CID 82997095) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-amino-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one.

Molecular Properties

Compound Name2-amino-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one
PubChem CID82997095
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-amino-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCC1CCC2(C1)N=C(N)NC2=O
InChIInChI=1S/C8H13N3O/c1-5-2-3-8(4-5)6(12)10-7(9)11-8/h5H,2-4H2,1H3,(H3,9,10,11,12)
InChIKeyVVHDKVGCABVBRH-UHFFFAOYSA-N
XLogP-0.01
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 82999310
2-amino-6,9-dimethyl-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 82996603
2-amino-8,8-dimethyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 82996611
2-amino-6,8,8-trimethyl-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 82996861
2-amino-4-ethyl-4-methyl-1H-imidazol-5-one
CID 82996871
1,2,6-trimethylspiro[2.4]heptane
CID 123183171
(3R,8R)-3,8-dimethylspiro[4.4]nonane
CID 171400850
1,4,7-trimethyl-2-azaspiro[4.5]decan-3-one
CID 130927733
4-amino-1-(cyclopropylmethyl)-8-methyl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79985069
3-methyl-6-oxaspiro[4.5]decan-9-one
CID 64514323
8,11-dimethyl-1,4-diazaspiro[5.5]undecan-5-one
CID 64755240
ethane;6-methyl-5-azaspiro[2.4]heptan-4-one
CID 178006224

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The IUPAC name of 2-amino-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one (CID 82997095) is 2-amino-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one.
What is the SMILES notation for 2-amino-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The canonical SMILES for 2-amino-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one is CC1CCC2(C1)N=C(N)NC2=O.
What is the InChIKey of 2-amino-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The InChIKey is VVHDKVGCABVBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5-2-3-8(4-5)6(12)10-7(9)11-8/h5H,2-4H2,1H3,(H3,9,10,11,12).
What are the key properties of 2-amino-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one?
2-amino-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one has a molecular weight of 167.21 g/mol, XLogP of -0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methyl-1,3-diazaspiro[4.4]non-1-en-4-one is sourced from PubChem (CID 82997095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).