8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane-7,10-dione

C15H22N2O2 — CID 106224869

IUPAC8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESC#CC(CC)N1C(=O)C2(CCCC2)NC(=O)C1CC
InChIInChI=1S/C15H22N2O2/c1-4-11(5-2)17-12(6-3)13(18)16-15(14(17)19)9-7-8-10-15/h1,11-12H,5-10H2,2-3H3,(H,16,18)
InChIKeyLQXNVTZZUZATON-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.45
Rot. Bonds3

About 8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane-7,10-dione

8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 106224869) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID106224869
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESC#CC(CC)N1C(=O)C2(CCCC2)NC(=O)C1CC
InChIInChI=1S/C15H22N2O2/c1-4-11(5-2)17-12(6-3)13(18)16-15(14(17)19)9-7-8-10-15/h1,11-12H,5-10H2,2-3H3,(H,16,18)
InChIKeyLQXNVTZZUZATON-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

8,9-diethyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887606
8-ethyl-9-(1-methylcyclopentyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64973613
9-butan-2-yl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64957601
4-but-3-yn-2-yl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 114420523
4-butyl-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64886290
8-ethyl-9-(5-methylhexyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 115327199
8-ethyl-9-(2-methylprop-2-enyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 114619330
8-ethyl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885889
3-ethyl-4-phenyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64958744
4-methyl-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64885908
9-(2-bicyclo[2.2.1]heptanyl)-8-ethyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64972715
6-ethyl-1-hex-1-yn-3-ylpiperazine-2,5-dione
CID 106225041

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane-7,10-dione (CID 106224869) is 8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane-7,10-dione is C#CC(CC)N1C(=O)C2(CCCC2)NC(=O)C1CC.
What is the InChIKey of 8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is LQXNVTZZUZATON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-11(5-2)17-12(6-3)13(18)16-15(14(17)19)9-7-8-10-15/h1,11-12H,5-10H2,2-3H3,(H,16,18).
What are the key properties of 8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane-7,10-dione?
8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 262.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 106224869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).