4-amino-1-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one

C10H17N3O — CID 79959493

IUPAC4-amino-1-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one
SMILESCN1C(=O)N=C(N)C12CCCCCC2
InChIInChI=1S/C10H17N3O/c1-13-9(14)12-8(11)10(13)6-4-2-3-5-7-10/h2-7H2,1H3,(H2,11,12,14)
InChIKeyIBBBRUWMFXTBGG-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.50
Rot. Bonds

About 4-amino-1-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one

4-amino-1-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one (PubChem CID 79959493) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-amino-1-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one
PubChem CID79959493
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-amino-1-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one
SMILESCN1C(=O)N=C(N)C12CCCCCC2
InChIInChI=1S/C10H17N3O/c1-13-9(14)12-8(11)10(13)6-4-2-3-5-7-10/h2-7H2,1H3,(H2,11,12,14)
InChIKeyIBBBRUWMFXTBGG-UHFFFAOYSA-N
XLogP1.50
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Amino-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 55250775
4-Amino-1-methyl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 55250806
3-(1-Carbamimidoylcycloheptyl)-1,1-dimethylurea
CID 79154655
3-(1-Carbamimidoylcycloheptyl)-1-ethyl-1-methylurea
CID 79163691
4-Amino-8-ethyl-1-methyl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79959245
4-Amino-5-hexyl-1,5-dimethylimidazol-2-one
CID 79959264
4-Amino-5-heptyl-1,5-dimethylimidazol-2-one
CID 79959265
4-Amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79959443
4-Amino-1-cyclopropyl-8-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79959447
4-Amino-1-propyl-1,3-diazaspiro[4.7]dodec-3-en-2-one
CID 79959466
4-Amino-7-ethyl-1-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959473
4-Amino-1-methyl-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959496

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one?
The IUPAC name of 4-amino-1-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one (CID 79959493) is 4-amino-1-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one.
What is the SMILES notation for 4-amino-1-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one?
The canonical SMILES for 4-amino-1-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one is CN1C(=O)N=C(N)C12CCCCCC2.
What is the InChIKey of 4-amino-1-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one?
The InChIKey is IBBBRUWMFXTBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-9(14)12-8(11)10(13)6-4-2-3-5-7-10/h2-7H2,1H3,(H2,11,12,14).
What are the key properties of 4-amino-1-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one?
4-amino-1-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one has a molecular weight of 195.27 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one is sourced from PubChem (CID 79959493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).