7,7-bis(hydroxymethyl)-2-azaspiro[3.5]nonane-1,3-dione

C10H15NO4 — CID 176808924

IUPAC7,7-bis(hydroxymethyl)-2-azaspiro[3.5]nonane-1,3-dione
SMILESO=C1NC(=O)C12CCC(CO)(CO)CC2
InChIInChI=1S/C10H15NO4/c12-5-9(6-13)1-3-10(4-2-9)7(14)11-8(10)15/h12-13H,1-6H2,(H,11,14,15)
InChIKeyIBWYBVYHZHBIIL-UHFFFAOYSA-N
MW213.23 g/mol
LogP-0.83
Rot. Bonds2

About 7,7-bis(hydroxymethyl)-2-azaspiro[3.5]nonane-1,3-dione

7,7-bis(hydroxymethyl)-2-azaspiro[3.5]nonane-1,3-dione (PubChem CID 176808924) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 7,7-bis(hydroxymethyl)-2-azaspiro[3.5]nonane-1,3-dione.

Molecular Properties

Compound Name7,7-bis(hydroxymethyl)-2-azaspiro[3.5]nonane-1,3-dione
PubChem CID176808924
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name7,7-bis(hydroxymethyl)-2-azaspiro[3.5]nonane-1,3-dione
SMILESO=C1NC(=O)C12CCC(CO)(CO)CC2
InChIInChI=1S/C10H15NO4/c12-5-9(6-13)1-3-10(4-2-9)7(14)11-8(10)15/h12-13H,1-6H2,(H,11,14,15)
InChIKeyIBWYBVYHZHBIIL-UHFFFAOYSA-N
XLogP-0.83
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

9,9-bis(hydroxymethyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 176808891
7-(hydroxymethyl)-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-2,4-dione
CID 134857778
4,4-bis(hydroxymethyl)cyclohexane-1,1-dicarboxylic acid;cyclohexane
CID 161164365
(1-propylcyclopropyl)methanol
CID 66026334
butanoic acid;[1-(hydroxymethyl)cyclohexyl]methanol
CID 67588053
1',1'-bis(hydroxymethyl)spiro[2,4-benzodioxepine-3,4'-cyclohexane]-1,5-dione
CID 171775217
[1-(hydroxymethyl)cyclohexyl]methanol;oxalic acid
CID 175865144
[1-(chloromethyl)cyclopropyl]methanol
CID 12920386
hexanedioic acid;tris([1-(hydroxymethyl)cyclodecyl]methanol)
CID 175890022
4-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-1,2,4-triazol-5-one
CID 107410805
2-[1-(hydroxymethyl)cyclopropyl]ethanethioamide
CID 65498550
8,11-diazaspiro[5.6]dodecane-7,12-dione
CID 82469216

Frequently Asked Questions

What is the IUPAC name of 7,7-bis(hydroxymethyl)-2-azaspiro[3.5]nonane-1,3-dione?
The IUPAC name of 7,7-bis(hydroxymethyl)-2-azaspiro[3.5]nonane-1,3-dione (CID 176808924) is 7,7-bis(hydroxymethyl)-2-azaspiro[3.5]nonane-1,3-dione.
What is the SMILES notation for 7,7-bis(hydroxymethyl)-2-azaspiro[3.5]nonane-1,3-dione?
The canonical SMILES for 7,7-bis(hydroxymethyl)-2-azaspiro[3.5]nonane-1,3-dione is O=C1NC(=O)C12CCC(CO)(CO)CC2.
What is the InChIKey of 7,7-bis(hydroxymethyl)-2-azaspiro[3.5]nonane-1,3-dione?
The InChIKey is IBWYBVYHZHBIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c12-5-9(6-13)1-3-10(4-2-9)7(14)11-8(10)15/h12-13H,1-6H2,(H,11,14,15).
What are the key properties of 7,7-bis(hydroxymethyl)-2-azaspiro[3.5]nonane-1,3-dione?
7,7-bis(hydroxymethyl)-2-azaspiro[3.5]nonane-1,3-dione has a molecular weight of 213.23 g/mol, XLogP of -0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-bis(hydroxymethyl)-2-azaspiro[3.5]nonane-1,3-dione is sourced from PubChem (CID 176808924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).