3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione

C16H27NO3 — CID 106291114

IUPAC3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione
SMILESCCCC(C)(O)CN1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C16H27NO3/c1-3-7-15(2,20)12-17-13(18)10-16(11-14(17)19)8-5-4-6-9-16/h20H,3-12H2,1-2H3
InChIKeyPKKUBIJNASRRSH-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.64
Rot. Bonds4

About 3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione

3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 106291114) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID106291114
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione
SMILESCCCC(C)(O)CN1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C16H27NO3/c1-3-7-15(2,20)12-17-13(18)10-16(11-14(17)19)8-5-4-6-9-16/h20H,3-12H2,1-2H3
InChIKeyPKKUBIJNASRRSH-UHFFFAOYSA-N
XLogP2.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-3-azaspiro[5.5]undecane-2,4-dione
CID 19814204
8-[2-ethyl-2-(hydroxymethyl)butyl]-8-azaspiro[4.5]decane-7,9-dione
CID 106253808
3-(2-hydroxy-2-methylpentyl)imidazolidine-2,4-dione
CID 103936406
2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid
CID 43804746
2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 106246315
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
3-(3-hydroxy-2-methylpropyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 65036014
3-[2-(diethylamino)ethyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 125489551
3-(2-aminopropyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 55228574
3-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 115455509
1-(azepan-1-yl)-2-methylpentan-2-ol
CID 106291182

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione (CID 106291114) is 3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione is CCCC(C)(O)CN1C(=O)CC2(CCCCC2)CC1=O.
What is the InChIKey of 3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is PKKUBIJNASRRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-3-7-15(2,20)12-17-13(18)10-16(11-14(17)19)8-5-4-6-9-16/h20H,3-12H2,1-2H3.
What are the key properties of 3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione?
3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 281.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 106291114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).