9-[1-(5-methylfuran-2-yl)ethyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione

C15H18N2O4 — CID 115947250

IUPAC9-[1-(5-methylfuran-2-yl)ethyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCc1ccc(C(C)N2C(=O)NC(=O)C3(CCCC3)C2=O)o1
InChIInChI=1S/C15H18N2O4/c1-9-5-6-11(21-9)10(2)17-13(19)15(7-3-4-8-15)12(18)16-14(17)20/h5-6,10H,3-4,7-8H2,1-2H3,(H,16,18,20)
InChIKeyKOLGFAXLMWALTG-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.29
Rot. Bonds2

About 9-[1-(5-methylfuran-2-yl)ethyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione

9-[1-(5-methylfuran-2-yl)ethyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione (PubChem CID 115947250) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 9-[1-(5-methylfuran-2-yl)ethyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione.

Molecular Properties

Compound Name9-[1-(5-methylfuran-2-yl)ethyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
PubChem CID115947250
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name9-[1-(5-methylfuran-2-yl)ethyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCc1ccc(C(C)N2C(=O)NC(=O)C3(CCCC3)C2=O)o1
InChIInChI=1S/C15H18N2O4/c1-9-5-6-11(21-9)10(2)17-13(19)15(7-3-4-8-15)12(18)16-14(17)20/h5-6,10H,3-4,7-8H2,1-2H3,(H,16,18,20)
InChIKeyKOLGFAXLMWALTG-UHFFFAOYSA-N
XLogP2.29
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.29
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 9-[1-(5-methylfuran-2-yl)ethyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The IUPAC name of 9-[1-(5-methylfuran-2-yl)ethyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione (CID 115947250) is 9-[1-(5-methylfuran-2-yl)ethyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione.
What is the SMILES notation for 9-[1-(5-methylfuran-2-yl)ethyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The canonical SMILES for 9-[1-(5-methylfuran-2-yl)ethyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione is Cc1ccc(C(C)N2C(=O)NC(=O)C3(CCCC3)C2=O)o1.
What is the InChIKey of 9-[1-(5-methylfuran-2-yl)ethyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The InChIKey is KOLGFAXLMWALTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9-5-6-11(21-9)10(2)17-13(19)15(7-3-4-8-15)12(18)16-14(17)20/h5-6,10H,3-4,7-8H2,1-2H3,(H,16,18,20).
What are the key properties of 9-[1-(5-methylfuran-2-yl)ethyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione?
9-[1-(5-methylfuran-2-yl)ethyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione has a molecular weight of 290.32 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(5-methylfuran-2-yl)ethyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione is sourced from PubChem (CID 115947250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).