3-(3-aminopropyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione

C12H19N3O2 — CID 79501392

IUPAC3-(3-aminopropyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione
SMILESNCCCC1=NC(=O)C2(CCCCC2)C(=O)N1
InChIInChI=1S/C12H19N3O2/c13-8-4-5-9-14-10(16)12(11(17)15-9)6-2-1-3-7-12/h1-8,13H2,(H,14,15,16,17)
InChIKeyYIOGTWCQRKPPOZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.73
Rot. Bonds3

About 3-(3-aminopropyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione

3-(3-aminopropyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione (PubChem CID 79501392) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(3-aminopropyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione.

Molecular Properties

Compound Name3-(3-aminopropyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione
PubChem CID79501392
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(3-aminopropyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione
SMILESNCCCC1=NC(=O)C2(CCCCC2)C(=O)N1
InChIInChI=1S/C12H19N3O2/c13-8-4-5-9-14-10(16)12(11(17)15-9)6-2-1-3-7-12/h1-8,13H2,(H,14,15,16,17)
InChIKeyYIOGTWCQRKPPOZ-UHFFFAOYSA-N
XLogP0.73
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.73
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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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione?
The IUPAC name of 3-(3-aminopropyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione (CID 79501392) is 3-(3-aminopropyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione.
What is the SMILES notation for 3-(3-aminopropyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione?
The canonical SMILES for 3-(3-aminopropyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione is NCCCC1=NC(=O)C2(CCCCC2)C(=O)N1.
What is the InChIKey of 3-(3-aminopropyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione?
The InChIKey is YIOGTWCQRKPPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-8-4-5-9-14-10(16)12(11(17)15-9)6-2-1-3-7-12/h1-8,13H2,(H,14,15,16,17).
What are the key properties of 3-(3-aminopropyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione?
3-(3-aminopropyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione has a molecular weight of 237.30 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-2,4-diazaspiro[5.5]undec-3-ene-1,5-dione is sourced from PubChem (CID 79501392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).