8-[2-ethyl-2-(hydroxymethyl)butyl]-8-azaspiro[4.5]decane-7,9-dione

C16H27NO3 — CID 106253808

IUPAC8-[2-ethyl-2-(hydroxymethyl)butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCCC(CC)(CO)CN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C16H27NO3/c1-3-15(4-2,12-18)11-17-13(19)9-16(10-14(17)20)7-5-6-8-16/h18H,3-12H2,1-2H3
InChIKeyUWMHXWMCUBRILS-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.49
Rot. Bonds5

About 8-[2-ethyl-2-(hydroxymethyl)butyl]-8-azaspiro[4.5]decane-7,9-dione

8-[2-ethyl-2-(hydroxymethyl)butyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 106253808) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 8-[2-ethyl-2-(hydroxymethyl)butyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[2-ethyl-2-(hydroxymethyl)butyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID106253808
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name8-[2-ethyl-2-(hydroxymethyl)butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCCC(CC)(CO)CN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C16H27NO3/c1-3-15(4-2,12-18)11-17-13(19)9-16(10-14(17)20)7-5-6-8-16/h18H,3-12H2,1-2H3
InChIKeyUWMHXWMCUBRILS-UHFFFAOYSA-N
XLogP2.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-ethyl-2-(hydroxymethyl)butyl]morpholine-3,5-dione
CID 106253810
3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 106291114
3-ethyl-3-azaspiro[5.5]undecane-2,4-dione
CID 19814204
3-(3-hydroxy-2-methylpropyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 65036014
2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid
CID 43804746
3-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 115455509
8-[(2S)-1-hydroxybutan-2-yl]-8-azaspiro[4.5]decane-7,9-dione
CID 114010142
2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-N-methylacetamide
CID 4500586
ethane;6-ethyl-6-azaspiro[2.5]octane-5,7-dione
CID 143100765
2-[(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)methyl]butanoic acid
CID 65222106
propyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetate
CID 4501001
8-[2-[bis(2-hydroxyethyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 165344828

Frequently Asked Questions

What is the IUPAC name of 8-[2-ethyl-2-(hydroxymethyl)butyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[2-ethyl-2-(hydroxymethyl)butyl]-8-azaspiro[4.5]decane-7,9-dione (CID 106253808) is 8-[2-ethyl-2-(hydroxymethyl)butyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[2-ethyl-2-(hydroxymethyl)butyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[2-ethyl-2-(hydroxymethyl)butyl]-8-azaspiro[4.5]decane-7,9-dione is CCC(CC)(CO)CN1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of 8-[2-ethyl-2-(hydroxymethyl)butyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is UWMHXWMCUBRILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-3-15(4-2,12-18)11-17-13(19)9-16(10-14(17)20)7-5-6-8-16/h18H,3-12H2,1-2H3.
What are the key properties of 8-[2-ethyl-2-(hydroxymethyl)butyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[2-ethyl-2-(hydroxymethyl)butyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 281.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-ethyl-2-(hydroxymethyl)butyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 106253808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).