9,9-bis(hydroxymethyl)-3-azaspiro[5.5]undecane-2,4-dione

C12H19NO4 — CID 176808891

IUPAC9,9-bis(hydroxymethyl)-3-azaspiro[5.5]undecane-2,4-dione
SMILESO=C1CC2(CCC(CO)(CO)CC2)CC(=O)N1
InChIInChI=1S/C12H19NO4/c14-7-12(8-15)3-1-11(2-4-12)5-9(16)13-10(17)6-11/h14-15H,1-8H2,(H,13,16,17)
InChIKeyFUSBUEMQTHHOAC-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.05
Rot. Bonds2

About 9,9-bis(hydroxymethyl)-3-azaspiro[5.5]undecane-2,4-dione

9,9-bis(hydroxymethyl)-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 176808891) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 9,9-bis(hydroxymethyl)-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name9,9-bis(hydroxymethyl)-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID176808891
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name9,9-bis(hydroxymethyl)-3-azaspiro[5.5]undecane-2,4-dione
SMILESO=C1CC2(CCC(CO)(CO)CC2)CC(=O)N1
InChIInChI=1S/C12H19NO4/c14-7-12(8-15)3-1-11(2-4-12)5-9(16)13-10(17)6-11/h14-15H,1-8H2,(H,13,16,17)
InChIKeyFUSBUEMQTHHOAC-UHFFFAOYSA-N
XLogP-0.05
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-azaspiro[5.6]dodecane-2,4-dione
CID 46911960
7,7-bis(hydroxymethyl)-2-azaspiro[3.5]nonane-1,3-dione
CID 176808924
3-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 115455509
9-(4-hydroxyphenyl)-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 164939841
3,3-bis(hydroxymethyl)pyrrolidine-2,5-dione
CID 70519148
[8-(hydroxymethyl)spiro[4.5]decan-8-yl]methanol;bis(2-methylprop-2-enoic acid)
CID 162254811
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea
CID 79461046
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]azepan-2-one
CID 115454770
5-azaspiro[2.4]heptan-6-one;molecular hydrogen
CID 171823413
4,4-bis(hydroxymethyl)cyclohexane-1,1-dicarboxylic acid;cyclohexane
CID 161164365
1-(4-ethylsulfanylbutan-2-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619080
4-(2,4-dioxo-3,9-diazaspiro[5.5]undecan-9-yl)benzaldehyde
CID 155579240

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(hydroxymethyl)-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 9,9-bis(hydroxymethyl)-3-azaspiro[5.5]undecane-2,4-dione (CID 176808891) is 9,9-bis(hydroxymethyl)-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 9,9-bis(hydroxymethyl)-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 9,9-bis(hydroxymethyl)-3-azaspiro[5.5]undecane-2,4-dione is O=C1CC2(CCC(CO)(CO)CC2)CC(=O)N1.
What is the InChIKey of 9,9-bis(hydroxymethyl)-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is FUSBUEMQTHHOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c14-7-12(8-15)3-1-11(2-4-12)5-9(16)13-10(17)6-11/h14-15H,1-8H2,(H,13,16,17).
What are the key properties of 9,9-bis(hydroxymethyl)-3-azaspiro[5.5]undecane-2,4-dione?
9,9-bis(hydroxymethyl)-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 241.29 g/mol, XLogP of -0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(hydroxymethyl)-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 176808891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).