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

C13H23N3O — CID 79959466

IUPAC4-amino-1-propyl-1,3-diazaspiro[4.7]dodec-3-en-2-one
SMILESCCCN1C(=O)N=C(N)C12CCCCCCC2
InChIInChI=1S/C13H23N3O/c1-2-10-16-12(17)15-11(14)13(16)8-6-4-3-5-7-9-13/h2-10H2,1H3,(H2,14,15,17)
InChIKeyRRFCXADSSGBMPX-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.67
Rot. Bonds2

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

4-amino-1-propyl-1,3-diazaspiro[4.7]dodec-3-en-2-one (PubChem CID 79959466) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-amino-1-propyl-1,3-diazaspiro[4.7]dodec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-propyl-1,3-diazaspiro[4.7]dodec-3-en-2-one
PubChem CID79959466
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-amino-1-propyl-1,3-diazaspiro[4.7]dodec-3-en-2-one
SMILESCCCN1C(=O)N=C(N)C12CCCCCCC2
InChIInChI=1S/C13H23N3O/c1-2-10-16-12(17)15-11(14)13(16)8-6-4-3-5-7-9-13/h2-10H2,1H3,(H2,14,15,17)
InChIKeyRRFCXADSSGBMPX-UHFFFAOYSA-N
XLogP2.67
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-propyl-1,3-diazaspiro[4.7]dodec-3-en-2-one?
The IUPAC name of 4-amino-1-propyl-1,3-diazaspiro[4.7]dodec-3-en-2-one (CID 79959466) is 4-amino-1-propyl-1,3-diazaspiro[4.7]dodec-3-en-2-one.
What is the SMILES notation for 4-amino-1-propyl-1,3-diazaspiro[4.7]dodec-3-en-2-one?
The canonical SMILES for 4-amino-1-propyl-1,3-diazaspiro[4.7]dodec-3-en-2-one is CCCN1C(=O)N=C(N)C12CCCCCCC2.
What is the InChIKey of 4-amino-1-propyl-1,3-diazaspiro[4.7]dodec-3-en-2-one?
The InChIKey is RRFCXADSSGBMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-10-16-12(17)15-11(14)13(16)8-6-4-3-5-7-9-13/h2-10H2,1H3,(H2,14,15,17).
What are the key properties of 4-amino-1-propyl-1,3-diazaspiro[4.7]dodec-3-en-2-one?
4-amino-1-propyl-1,3-diazaspiro[4.7]dodec-3-en-2-one has a molecular weight of 237.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-propyl-1,3-diazaspiro[4.7]dodec-3-en-2-one is sourced from PubChem (CID 79959466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).