8-but-2-ynoyl-2,8-diazaspiro[4.5]decan-3-one

C12H16N2O2 — CID 107989904

IUPAC8-but-2-ynoyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCC#CC(=O)N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C12H16N2O2/c1-2-3-11(16)14-6-4-12(5-7-14)8-10(15)13-9-12/h4-9H2,1H3,(H,13,15)
InChIKeyWAPDHOAWPBRRRI-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.14
Rot. Bonds

About 8-but-2-ynoyl-2,8-diazaspiro[4.5]decan-3-one

8-but-2-ynoyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 107989904) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 8-but-2-ynoyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-but-2-ynoyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID107989904
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name8-but-2-ynoyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCC#CC(=O)N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C12H16N2O2/c1-2-3-11(16)14-6-4-12(5-7-14)8-10(15)13-9-12/h4-9H2,1H3,(H,13,15)
InChIKeyWAPDHOAWPBRRRI-UHFFFAOYSA-N
XLogP0.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.14
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-(2,2,3,3-tetramethylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 66476165
2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 50983601
N-(3,5-dimethylphenyl)-2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide
CID 50976611
8-(2-oxo-1H-pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103766120
8-[1-(2-methoxyethyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 139013287
8-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 77109646
8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103755680
8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 50951911
10-[2-(methylamino)acetyl]-3,10-diazadispiro[4.1.57.15]tridecan-2-one
CID 146625811
(5S)-2-(1-hydroxycyclopentanecarbonyl)-2,7-diazaspiro[4.4]nonan-8-one
CID 129349494
8-(2-pyrazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70720442
8-(2,3-dihydroxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 114344968

Frequently Asked Questions

What is the IUPAC name of 8-but-2-ynoyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-but-2-ynoyl-2,8-diazaspiro[4.5]decan-3-one (CID 107989904) is 8-but-2-ynoyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-but-2-ynoyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-but-2-ynoyl-2,8-diazaspiro[4.5]decan-3-one is CC#CC(=O)N1CCC2(CC1)CNC(=O)C2.
What is the InChIKey of 8-but-2-ynoyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is WAPDHOAWPBRRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-3-11(16)14-6-4-12(5-7-14)8-10(15)13-9-12/h4-9H2,1H3,(H,13,15).
What are the key properties of 8-but-2-ynoyl-2,8-diazaspiro[4.5]decan-3-one?
8-but-2-ynoyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 220.27 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-but-2-ynoyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 107989904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).