9-propan-2-yl-2,9-diazaspiro[4.6]undecane-1,3-dione

C12H20N2O2 — CID 65075899

IUPAC9-propan-2-yl-2,9-diazaspiro[4.6]undecane-1,3-dione
SMILESCC(C)N1CCCC2(CC1)CC(=O)NC2=O
InChIInChI=1S/C12H20N2O2/c1-9(2)14-6-3-4-12(5-7-14)8-10(15)13-11(12)16/h9H,3-8H2,1-2H3,(H,13,15,16)
InChIKeySWMSPQNAJMPPHP-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.91
Rot. Bonds1

About 9-propan-2-yl-2,9-diazaspiro[4.6]undecane-1,3-dione

9-propan-2-yl-2,9-diazaspiro[4.6]undecane-1,3-dione (PubChem CID 65075899) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 9-propan-2-yl-2,9-diazaspiro[4.6]undecane-1,3-dione.

Molecular Properties

Compound Name9-propan-2-yl-2,9-diazaspiro[4.6]undecane-1,3-dione
PubChem CID65075899
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name9-propan-2-yl-2,9-diazaspiro[4.6]undecane-1,3-dione
SMILESCC(C)N1CCCC2(CC1)CC(=O)NC2=O
InChIInChI=1S/C12H20N2O2/c1-9(2)14-6-3-4-12(5-7-14)8-10(15)13-11(12)16/h9H,3-8H2,1-2H3,(H,13,15,16)
InChIKeySWMSPQNAJMPPHP-UHFFFAOYSA-N
XLogP0.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.91
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

9-methyl-2,9-diazaspiro[4.6]undecane-1,3-dione
CID 65071381
9-propan-2-yl-2-oxa-9-azaspiro[4.6]undecane-1,3-dione
CID 65075749
1'-propan-2-ylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 176678107
5,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 79321146
(4S)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-2-one
CID 97174895
7-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione
CID 107429486
2-(tert-butylamino)-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-1-en-4-one
CID 82998898
3-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
CID 59128621
1'-propan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70767469
2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;ethane
CID 172605205
ethane;1-propan-2-ylpyrrolidine
CID 167557798
3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine
CID 165121785

Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-2,9-diazaspiro[4.6]undecane-1,3-dione?
The IUPAC name of 9-propan-2-yl-2,9-diazaspiro[4.6]undecane-1,3-dione (CID 65075899) is 9-propan-2-yl-2,9-diazaspiro[4.6]undecane-1,3-dione.
What is the SMILES notation for 9-propan-2-yl-2,9-diazaspiro[4.6]undecane-1,3-dione?
The canonical SMILES for 9-propan-2-yl-2,9-diazaspiro[4.6]undecane-1,3-dione is CC(C)N1CCCC2(CC1)CC(=O)NC2=O.
What is the InChIKey of 9-propan-2-yl-2,9-diazaspiro[4.6]undecane-1,3-dione?
The InChIKey is SWMSPQNAJMPPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(2)14-6-3-4-12(5-7-14)8-10(15)13-11(12)16/h9H,3-8H2,1-2H3,(H,13,15,16).
What are the key properties of 9-propan-2-yl-2,9-diazaspiro[4.6]undecane-1,3-dione?
9-propan-2-yl-2,9-diazaspiro[4.6]undecane-1,3-dione has a molecular weight of 224.30 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-2,9-diazaspiro[4.6]undecane-1,3-dione is sourced from PubChem (CID 65075899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).