6-(3-aminopropyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione

C9H13N3O2 — CID 79500759

IUPAC6-(3-aminopropyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione
SMILESNCCCC1=NC(=O)C2(CC2)C(=O)N1
InChIInChI=1S/C9H13N3O2/c10-5-1-2-6-11-7(13)9(3-4-9)8(14)12-6/h1-5,10H2,(H,11,12,13,14)
InChIKeyXJEKHMUPERNXMC-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.44
Rot. Bonds3

About 6-(3-aminopropyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione

6-(3-aminopropyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione (PubChem CID 79500759) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 6-(3-aminopropyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione.

Molecular Properties

Compound Name6-(3-aminopropyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione
PubChem CID79500759
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name6-(3-aminopropyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione
SMILESNCCCC1=NC(=O)C2(CC2)C(=O)N1
InChIInChI=1S/C9H13N3O2/c10-5-1-2-6-11-7(13)9(3-4-9)8(14)12-6/h1-5,10H2,(H,11,12,13,14)
InChIKeyXJEKHMUPERNXMC-UHFFFAOYSA-N
XLogP-0.44
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-diethyl-1H-pyrimidine-4,6-dione
CID 58730533
2-Cyclopropyl-4,6(1H,5H)-pyrimidinedione
CID 42609068
6-Methyl-5,7-diazaspiro[2.5]oct-5-en-8-one
CID 55265292
2-(1-aminoethyl)-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998013
2-[amino(cyclopropyl)methyl]-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998060
2-(2-aminoethyl)-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998110
2-[(cyclopropylamino)methyl]-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998117
2-(2-aminoethyl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76998159
2-(3-aminopropyl)-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998211
2-(2-aminopropyl)-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998275
2-(1-aminopropyl)-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998363
2-(1-aminopropan-2-yl)-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998371

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione?
The IUPAC name of 6-(3-aminopropyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione (CID 79500759) is 6-(3-aminopropyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione.
What is the SMILES notation for 6-(3-aminopropyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione?
The canonical SMILES for 6-(3-aminopropyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione is NCCCC1=NC(=O)C2(CC2)C(=O)N1.
What is the InChIKey of 6-(3-aminopropyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione?
The InChIKey is XJEKHMUPERNXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-5-1-2-6-11-7(13)9(3-4-9)8(14)12-6/h1-5,10H2,(H,11,12,13,14).
What are the key properties of 6-(3-aminopropyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione?
6-(3-aminopropyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione has a molecular weight of 195.22 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropyl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione is sourced from PubChem (CID 79500759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).