2-pent-4-ynyl-2-azaspiro[4.6]undecane-1,3-dione

C15H21NO2 — CID 106220356

IUPAC2-pent-4-ynyl-2-azaspiro[4.6]undecane-1,3-dione
SMILESC#CCCCN1C(=O)CC2(CCCCCC2)C1=O
InChIInChI=1S/C15H21NO2/c1-2-3-8-11-16-13(17)12-15(14(16)18)9-6-4-5-7-10-15/h1H,3-12H2
InChIKeyKHRDNZWCDJRODD-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.50
Rot. Bonds3

About 2-pent-4-ynyl-2-azaspiro[4.6]undecane-1,3-dione

2-pent-4-ynyl-2-azaspiro[4.6]undecane-1,3-dione (PubChem CID 106220356) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-pent-4-ynyl-2-azaspiro[4.6]undecane-1,3-dione.

Molecular Properties

Compound Name2-pent-4-ynyl-2-azaspiro[4.6]undecane-1,3-dione
PubChem CID106220356
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-pent-4-ynyl-2-azaspiro[4.6]undecane-1,3-dione
SMILESC#CCCCN1C(=O)CC2(CCCCCC2)C1=O
InChIInChI=1S/C15H21NO2/c1-2-3-8-11-16-13(17)12-15(14(16)18)9-6-4-5-7-10-15/h1H,3-12H2
InChIKeyKHRDNZWCDJRODD-UHFFFAOYSA-N
XLogP2.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloropropyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 89315539
5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)pentanenitrile
CID 60673991
2-(6-hydroxyhexyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 107849640
2-(4-aminobutyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 62642472
3,3-dimethyl-1-pent-4-ynylpyrrolidine-2,5-dione
CID 115872212
1-hex-5-ynyl-3,3-dimethylpyrrolidine-2,5-dione
CID 106209087
3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide
CID 46613463
4-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-hydroxybutanoic acid
CID 107835367
2-[2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)ethoxy]acetic acid
CID 79456834
(2R)-2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]pentanedinitrile
CID 31580120
2-[(E)-4-aminobut-2-enyl]-2-azaspiro[4.6]undecane-1,3-dione
CID 113414932
2-(2-amino-2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione
CID 113282808

Frequently Asked Questions

What is the IUPAC name of 2-pent-4-ynyl-2-azaspiro[4.6]undecane-1,3-dione?
The IUPAC name of 2-pent-4-ynyl-2-azaspiro[4.6]undecane-1,3-dione (CID 106220356) is 2-pent-4-ynyl-2-azaspiro[4.6]undecane-1,3-dione.
What is the SMILES notation for 2-pent-4-ynyl-2-azaspiro[4.6]undecane-1,3-dione?
The canonical SMILES for 2-pent-4-ynyl-2-azaspiro[4.6]undecane-1,3-dione is C#CCCCN1C(=O)CC2(CCCCCC2)C1=O.
What is the InChIKey of 2-pent-4-ynyl-2-azaspiro[4.6]undecane-1,3-dione?
The InChIKey is KHRDNZWCDJRODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-3-8-11-16-13(17)12-15(14(16)18)9-6-4-5-7-10-15/h1H,3-12H2.
What are the key properties of 2-pent-4-ynyl-2-azaspiro[4.6]undecane-1,3-dione?
2-pent-4-ynyl-2-azaspiro[4.6]undecane-1,3-dione has a molecular weight of 247.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-ynyl-2-azaspiro[4.6]undecane-1,3-dione is sourced from PubChem (CID 106220356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).