3-propyl-3,9-diazaspiro[5.5]undecane-2,4-dione

C12H20N2O2 — CID 97449353

IUPAC3-propyl-3,9-diazaspiro[5.5]undecane-2,4-dione
SMILESCCCN1C(=O)CC2(CCNCC2)CC1=O
InChIInChI=1S/C12H20N2O2/c1-2-7-14-10(15)8-12(9-11(14)16)3-5-13-6-4-12/h13H,2-9H2,1H3
InChIKeyBUSGVOPDPSOXPE-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.92
Rot. Bonds2

About 3-propyl-3,9-diazaspiro[5.5]undecane-2,4-dione

3-propyl-3,9-diazaspiro[5.5]undecane-2,4-dione (PubChem CID 97449353) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-propyl-3,9-diazaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name3-propyl-3,9-diazaspiro[5.5]undecane-2,4-dione
PubChem CID97449353
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-propyl-3,9-diazaspiro[5.5]undecane-2,4-dione
SMILESCCCN1C(=O)CC2(CCNCC2)CC1=O
InChIInChI=1S/C12H20N2O2/c1-2-7-14-10(15)8-12(9-11(14)16)3-5-13-6-4-12/h13H,2-9H2,1H3
InChIKeyBUSGVOPDPSOXPE-UHFFFAOYSA-N
XLogP0.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.92
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 3-propyl-3,9-diazaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 3-propyl-3,9-diazaspiro[5.5]undecane-2,4-dione (CID 97449353) is 3-propyl-3,9-diazaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 3-propyl-3,9-diazaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 3-propyl-3,9-diazaspiro[5.5]undecane-2,4-dione is CCCN1C(=O)CC2(CCNCC2)CC1=O.
What is the InChIKey of 3-propyl-3,9-diazaspiro[5.5]undecane-2,4-dione?
The InChIKey is BUSGVOPDPSOXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-7-14-10(15)8-12(9-11(14)16)3-5-13-6-4-12/h13H,2-9H2,1H3.
What are the key properties of 3-propyl-3,9-diazaspiro[5.5]undecane-2,4-dione?
3-propyl-3,9-diazaspiro[5.5]undecane-2,4-dione has a molecular weight of 224.30 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-3,9-diazaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 97449353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).