2-(6-hydroxyhexyl)-2-azaspiro[4.6]undecane-1,3-dione

C16H27NO3 — CID 107849640

IUPAC2-(6-hydroxyhexyl)-2-azaspiro[4.6]undecane-1,3-dione
SMILESO=C1CC2(CCCCCC2)C(=O)N1CCCCCCO
InChIInChI=1S/C16H27NO3/c18-12-8-4-3-7-11-17-14(19)13-16(15(17)20)9-5-1-2-6-10-16/h18H,1-13H2
InChIKeySJIVOHFGGQQPIE-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.64
Rot. Bonds6

About 2-(6-hydroxyhexyl)-2-azaspiro[4.6]undecane-1,3-dione

2-(6-hydroxyhexyl)-2-azaspiro[4.6]undecane-1,3-dione (PubChem CID 107849640) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(6-hydroxyhexyl)-2-azaspiro[4.6]undecane-1,3-dione.

Molecular Properties

Compound Name2-(6-hydroxyhexyl)-2-azaspiro[4.6]undecane-1,3-dione
PubChem CID107849640
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-(6-hydroxyhexyl)-2-azaspiro[4.6]undecane-1,3-dione
SMILESO=C1CC2(CCCCCC2)C(=O)N1CCCCCCO
InChIInChI=1S/C16H27NO3/c18-12-8-4-3-7-11-17-14(19)13-16(15(17)20)9-5-1-2-6-10-16/h18H,1-13H2
InChIKeySJIVOHFGGQQPIE-UHFFFAOYSA-N
XLogP2.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminobutyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 62642472
2-(3-chloropropyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 89315539
3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide
CID 46613463
2-pent-4-ynyl-2-azaspiro[4.6]undecane-1,3-dione
CID 106220356
5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)pentanenitrile
CID 60673991
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
2-(4-hydroxy-2,2-dimethylbutyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 106145904
2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethoxy]acetic acid
CID 79457188
3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509729
ethyl 4-[3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propyl]piperazin-4-ium-1-carboxylate chloride
CID 110174817
2-(2-hydroxy-2-methylpropyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 63239102

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxyhexyl)-2-azaspiro[4.6]undecane-1,3-dione?
The IUPAC name of 2-(6-hydroxyhexyl)-2-azaspiro[4.6]undecane-1,3-dione (CID 107849640) is 2-(6-hydroxyhexyl)-2-azaspiro[4.6]undecane-1,3-dione.
What is the SMILES notation for 2-(6-hydroxyhexyl)-2-azaspiro[4.6]undecane-1,3-dione?
The canonical SMILES for 2-(6-hydroxyhexyl)-2-azaspiro[4.6]undecane-1,3-dione is O=C1CC2(CCCCCC2)C(=O)N1CCCCCCO.
What is the InChIKey of 2-(6-hydroxyhexyl)-2-azaspiro[4.6]undecane-1,3-dione?
The InChIKey is SJIVOHFGGQQPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c18-12-8-4-3-7-11-17-14(19)13-16(15(17)20)9-5-1-2-6-10-16/h18H,1-13H2.
What are the key properties of 2-(6-hydroxyhexyl)-2-azaspiro[4.6]undecane-1,3-dione?
2-(6-hydroxyhexyl)-2-azaspiro[4.6]undecane-1,3-dione has a molecular weight of 281.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxyhexyl)-2-azaspiro[4.6]undecane-1,3-dione is sourced from PubChem (CID 107849640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).