9-hex-5-ynyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione

C15H22N2O2 — CID 106210771

IUPAC9-hex-5-ynyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESC#CCCCCN1C(=O)C2(CCCC2)NC(=O)C1C
InChIInChI=1S/C15H22N2O2/c1-3-4-5-8-11-17-12(2)13(18)16-15(14(17)19)9-6-7-10-15/h1,12H,4-11H2,2H3,(H,16,18)
InChIKeyHCOROLIATHGYPB-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.45
Rot. Bonds4

About 9-hex-5-ynyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione

9-hex-5-ynyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 106210771) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 9-hex-5-ynyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name9-hex-5-ynyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID106210771
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name9-hex-5-ynyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESC#CCCCCN1C(=O)C2(CCCC2)NC(=O)C1C
InChIInChI=1S/C15H22N2O2/c1-3-4-5-8-11-17-12(2)13(18)16-15(14(17)19)9-6-7-10-15/h1,12H,4-11H2,2H3,(H,16,18)
InChIKeyHCOROLIATHGYPB-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-hex-5-ynyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 9-hex-5-ynyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione (CID 106210771) is 9-hex-5-ynyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 9-hex-5-ynyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 9-hex-5-ynyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione is C#CCCCCN1C(=O)C2(CCCC2)NC(=O)C1C.
What is the InChIKey of 9-hex-5-ynyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is HCOROLIATHGYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-4-5-8-11-17-12(2)13(18)16-15(14(17)19)9-6-7-10-15/h1,12H,4-11H2,2H3,(H,16,18).
What are the key properties of 9-hex-5-ynyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione?
9-hex-5-ynyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 262.35 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hex-5-ynyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 106210771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).