2-(1-hydroxybutan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione

C12H19NO3 — CID 61207897

IUPAC2-(1-hydroxybutan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESCCC(CO)N1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C12H19NO3/c1-2-9(8-14)13-10(15)7-12(11(13)16)5-3-4-6-12/h9,14H,2-8H2,1H3
InChIKeyORRYTWYIURXVDW-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.08
Rot. Bonds3

About 2-(1-hydroxybutan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione

2-(1-hydroxybutan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 61207897) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(1-hydroxybutan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-(1-hydroxybutan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID61207897
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-(1-hydroxybutan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESCCC(CO)N1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C12H19NO3/c1-2-9(8-14)13-10(15)7-12(11(13)16)5-3-4-6-12/h9,14H,2-8H2,1H3
InChIKeyORRYTWYIURXVDW-UHFFFAOYSA-N
XLogP1.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxybutan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-(1-hydroxybutan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione (CID 61207897) is 2-(1-hydroxybutan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-(1-hydroxybutan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-(1-hydroxybutan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione is CCC(CO)N1C(=O)CC2(CCCC2)C1=O.
What is the InChIKey of 2-(1-hydroxybutan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is ORRYTWYIURXVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-9(8-14)13-10(15)7-12(11(13)16)5-3-4-6-12/h9,14H,2-8H2,1H3.
What are the key properties of 2-(1-hydroxybutan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione?
2-(1-hydroxybutan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 225.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxybutan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 61207897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).