4-amino-1,3-diazaspiro[4.7]dodec-3-en-2-one

C10H17N3O — CID 79960446

IUPAC4-amino-1,3-diazaspiro[4.7]dodec-3-en-2-one
SMILESNC1=NC(=O)NC12CCCCCCC2
InChIInChI=1S/C10H17N3O/c11-8-10(13-9(14)12-8)6-4-2-1-3-5-7-10/h1-7H2,(H3,11,12,13,14)
InChIKeyHKKYQEQMHVOJAR-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.55
Rot. Bonds

About 4-amino-1,3-diazaspiro[4.7]dodec-3-en-2-one

4-amino-1,3-diazaspiro[4.7]dodec-3-en-2-one (PubChem CID 79960446) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-amino-1,3-diazaspiro[4.7]dodec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1,3-diazaspiro[4.7]dodec-3-en-2-one
PubChem CID79960446
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-amino-1,3-diazaspiro[4.7]dodec-3-en-2-one
SMILESNC1=NC(=O)NC12CCCCCCC2
InChIInChI=1S/C10H17N3O/c11-8-10(13-9(14)12-8)6-4-2-1-3-5-7-10/h1-7H2,(H3,11,12,13,14)
InChIKeyHKKYQEQMHVOJAR-UHFFFAOYSA-N
XLogP1.55
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,3-diazaspiro[4.7]dodec-3-en-2-one?
The IUPAC name of 4-amino-1,3-diazaspiro[4.7]dodec-3-en-2-one (CID 79960446) is 4-amino-1,3-diazaspiro[4.7]dodec-3-en-2-one.
What is the SMILES notation for 4-amino-1,3-diazaspiro[4.7]dodec-3-en-2-one?
The canonical SMILES for 4-amino-1,3-diazaspiro[4.7]dodec-3-en-2-one is NC1=NC(=O)NC12CCCCCCC2.
What is the InChIKey of 4-amino-1,3-diazaspiro[4.7]dodec-3-en-2-one?
The InChIKey is HKKYQEQMHVOJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c11-8-10(13-9(14)12-8)6-4-2-1-3-5-7-10/h1-7H2,(H3,11,12,13,14).
What are the key properties of 4-amino-1,3-diazaspiro[4.7]dodec-3-en-2-one?
4-amino-1,3-diazaspiro[4.7]dodec-3-en-2-one has a molecular weight of 195.27 g/mol, XLogP of 1.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3-diazaspiro[4.7]dodec-3-en-2-one is sourced from PubChem (CID 79960446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).