6-(1-aminopropan-2-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione

C9H13N3O2 — CID 79501743

IUPAC6-(1-aminopropan-2-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione
SMILESCC(CN)C1=NC(=O)C2(CC2)C(=O)N1
InChIInChI=1S/C9H13N3O2/c1-5(4-10)6-11-7(13)9(2-3-9)8(14)12-6/h5H,2-4,10H2,1H3,(H,11,12,13,14)
InChIKeyUMENBNYMGWAASR-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.58
Rot. Bonds2

About 6-(1-aminopropan-2-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione

6-(1-aminopropan-2-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione (PubChem CID 79501743) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 6-(1-aminopropan-2-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione.

Molecular Properties

Compound Name6-(1-aminopropan-2-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione
PubChem CID79501743
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name6-(1-aminopropan-2-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione
SMILESCC(CN)C1=NC(=O)C2(CC2)C(=O)N1
InChIInChI=1S/C9H13N3O2/c1-5(4-10)6-11-7(13)9(2-3-9)8(14)12-6/h5H,2-4,10H2,1H3,(H,11,12,13,14)
InChIKeyUMENBNYMGWAASR-UHFFFAOYSA-N
XLogP-0.58
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.58
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
3-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)pentane-2,4-dione
CID 58934368
5-ethyl-2-methyl-1H-pyrimidine-4,6-dione
CID 75088261
2-butan-2-yl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 123475358
2-methyl-5-propan-2-yl-1H-pyrimidine-4,6-dione
CID 131291765
2-butan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 164053355
2,5-di(propan-2-yl)-1H-pyrimidine-4,6-dione
CID 172096036
2-Cyclopropyl-4,6(1H,5H)-pyrimidinedione
CID 42609068
6-Methyl-5,7-diazaspiro[2.5]oct-5-en-8-one
CID 55265292
2-(2-Aminoethyl)-5-methylpyrimidine-4,6(1H,5H)-dione
CID 71757361
2,2,3,3-tetramethyl-N-[2-(5-methyl-4,6-dioxo-1H-pyrimidin-2-yl)ethyl]cyclopropane-1-carboxamide
CID 71905699
2-(1-aminoethyl)-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998013

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminopropan-2-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione?
The IUPAC name of 6-(1-aminopropan-2-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione (CID 79501743) is 6-(1-aminopropan-2-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione.
What is the SMILES notation for 6-(1-aminopropan-2-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione?
The canonical SMILES for 6-(1-aminopropan-2-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione is CC(CN)C1=NC(=O)C2(CC2)C(=O)N1.
What is the InChIKey of 6-(1-aminopropan-2-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione?
The InChIKey is UMENBNYMGWAASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5(4-10)6-11-7(13)9(2-3-9)8(14)12-6/h5H,2-4,10H2,1H3,(H,11,12,13,14).
What are the key properties of 6-(1-aminopropan-2-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione?
6-(1-aminopropan-2-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione has a molecular weight of 195.22 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminopropan-2-yl)-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione is sourced from PubChem (CID 79501743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).