8-(1-cyclopropylpyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione

C14H19N3O3 — CID 115947312

IUPAC8-(1-cyclopropylpyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESO=C1NC(=O)C2(CCC2)C(=O)N1C1CCN(C2CC2)C1
InChIInChI=1S/C14H19N3O3/c18-11-14(5-1-6-14)12(19)17(13(20)15-11)10-4-7-16(8-10)9-2-3-9/h9-10H,1-8H2,(H,15,18,20)
InChIKeyUNWHXFZWQMSFPG-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.47
Rot. Bonds2

About 8-(1-cyclopropylpyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione

8-(1-cyclopropylpyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (PubChem CID 115947312) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 8-(1-cyclopropylpyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.

Molecular Properties

Compound Name8-(1-cyclopropylpyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
PubChem CID115947312
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name8-(1-cyclopropylpyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESO=C1NC(=O)C2(CCC2)C(=O)N1C1CCN(C2CC2)C1
InChIInChI=1S/C14H19N3O3/c18-11-14(5-1-6-14)12(19)17(13(20)15-11)10-4-7-16(8-10)9-2-3-9/h9-10H,1-8H2,(H,15,18,20)
InChIKeyUNWHXFZWQMSFPG-UHFFFAOYSA-N
XLogP0.47
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 8-(1-cyclopropylpyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The IUPAC name of 8-(1-cyclopropylpyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (CID 115947312) is 8-(1-cyclopropylpyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.
What is the SMILES notation for 8-(1-cyclopropylpyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The canonical SMILES for 8-(1-cyclopropylpyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is O=C1NC(=O)C2(CCC2)C(=O)N1C1CCN(C2CC2)C1.
What is the InChIKey of 8-(1-cyclopropylpyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The InChIKey is UNWHXFZWQMSFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-11-14(5-1-6-14)12(19)17(13(20)15-11)10-4-7-16(8-10)9-2-3-9/h9-10H,1-8H2,(H,15,18,20).
What are the key properties of 8-(1-cyclopropylpyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
8-(1-cyclopropylpyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione has a molecular weight of 277.32 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-cyclopropylpyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is sourced from PubChem (CID 115947312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).