9-(1-imidazol-1-ylpropan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione

C14H18N4O3 — CID 115947597

IUPAC9-(1-imidazol-1-ylpropan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCC(Cn1ccnc1)N1C(=O)NC(=O)C2(CCCC2)C1=O
InChIInChI=1S/C14H18N4O3/c1-10(8-17-7-6-15-9-17)18-12(20)14(4-2-3-5-14)11(19)16-13(18)21/h6-7,9-10H,2-5,8H2,1H3,(H,16,19,21)
InChIKeyWMOJZLKQZWEZRK-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.91
Rot. Bonds3

About 9-(1-imidazol-1-ylpropan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione

9-(1-imidazol-1-ylpropan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (PubChem CID 115947597) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 9-(1-imidazol-1-ylpropan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.

Molecular Properties

Compound Name9-(1-imidazol-1-ylpropan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
PubChem CID115947597
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name9-(1-imidazol-1-ylpropan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCC(Cn1ccnc1)N1C(=O)NC(=O)C2(CCCC2)C1=O
InChIInChI=1S/C14H18N4O3/c1-10(8-17-7-6-15-9-17)18-12(20)14(4-2-3-5-14)11(19)16-13(18)21/h6-7,9-10H,2-5,8H2,1H3,(H,16,19,21)
InChIKeyWMOJZLKQZWEZRK-UHFFFAOYSA-N
XLogP0.91
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 9-(1-imidazol-1-ylpropan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The IUPAC name of 9-(1-imidazol-1-ylpropan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (CID 115947597) is 9-(1-imidazol-1-ylpropan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.
What is the SMILES notation for 9-(1-imidazol-1-ylpropan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The canonical SMILES for 9-(1-imidazol-1-ylpropan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is CC(Cn1ccnc1)N1C(=O)NC(=O)C2(CCCC2)C1=O.
What is the InChIKey of 9-(1-imidazol-1-ylpropan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The InChIKey is WMOJZLKQZWEZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-10(8-17-7-6-15-9-17)18-12(20)14(4-2-3-5-14)11(19)16-13(18)21/h6-7,9-10H,2-5,8H2,1H3,(H,16,19,21).
What are the key properties of 9-(1-imidazol-1-ylpropan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
9-(1-imidazol-1-ylpropan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione has a molecular weight of 290.32 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-imidazol-1-ylpropan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is sourced from PubChem (CID 115947597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).