3-pyrrolidin-2-yl-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione

C14H21N3O2 — CID 79501229

IUPAC3-pyrrolidin-2-yl-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione
SMILESO=C1N=C(C2CCCN2)NC(=O)C12CCCCCC2
InChIInChI=1S/C14H21N3O2/c18-12-14(7-3-1-2-4-8-14)13(19)17-11(16-12)10-6-5-9-15-10/h10,15H,1-9H2,(H,16,17,18,19)
InChIKeyMKKZRYBAJZNVIU-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.13
Rot. Bonds1

About 3-pyrrolidin-2-yl-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione

3-pyrrolidin-2-yl-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione (PubChem CID 79501229) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-pyrrolidin-2-yl-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione.

Molecular Properties

Compound Name3-pyrrolidin-2-yl-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione
PubChem CID79501229
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-pyrrolidin-2-yl-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione
SMILESO=C1N=C(C2CCCN2)NC(=O)C12CCCCCC2
InChIInChI=1S/C14H21N3O2/c18-12-14(7-3-1-2-4-8-14)13(19)17-11(16-12)10-6-5-9-15-10/h10,15H,1-9H2,(H,16,17,18,19)
InChIKeyMKKZRYBAJZNVIU-UHFFFAOYSA-N
XLogP1.13
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-pyrrolidin-2-yl-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-2-yl-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione?
The IUPAC name of 3-pyrrolidin-2-yl-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione (CID 79501229) is 3-pyrrolidin-2-yl-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione.
What is the SMILES notation for 3-pyrrolidin-2-yl-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione?
The canonical SMILES for 3-pyrrolidin-2-yl-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione is O=C1N=C(C2CCCN2)NC(=O)C12CCCCCC2.
What is the InChIKey of 3-pyrrolidin-2-yl-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione?
The InChIKey is MKKZRYBAJZNVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-12-14(7-3-1-2-4-8-14)13(19)17-11(16-12)10-6-5-9-15-10/h10,15H,1-9H2,(H,16,17,18,19).
What are the key properties of 3-pyrrolidin-2-yl-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione?
3-pyrrolidin-2-yl-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione has a molecular weight of 263.34 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-2-yl-2,4-diazaspiro[5.6]dodec-3-ene-1,5-dione is sourced from PubChem (CID 79501229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).