3-propyl-2,3-diazaspiro[4.4]nonane-1,4-dione

C10H16N2O2 — CID 10726556

IUPAC3-propyl-2,3-diazaspiro[4.4]nonane-1,4-dione
SMILESCCCN1NC(=O)C2(CCCC2)C1=O
InChIInChI=1S/C10H16N2O2/c1-2-7-12-9(14)10(8(13)11-12)5-3-4-6-10/h2-7H2,1H3,(H,11,13)
InChIKeyLLKZGKFRWWPVIV-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.83
Rot. Bonds2

About 3-propyl-2,3-diazaspiro[4.4]nonane-1,4-dione

3-propyl-2,3-diazaspiro[4.4]nonane-1,4-dione (PubChem CID 10726556) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-propyl-2,3-diazaspiro[4.4]nonane-1,4-dione.

Molecular Properties

Compound Name3-propyl-2,3-diazaspiro[4.4]nonane-1,4-dione
PubChem CID10726556
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-propyl-2,3-diazaspiro[4.4]nonane-1,4-dione
SMILESCCCN1NC(=O)C2(CCCC2)C1=O
InChIInChI=1S/C10H16N2O2/c1-2-7-12-9(14)10(8(13)11-12)5-3-4-6-10/h2-7H2,1H3,(H,11,13)
InChIKeyLLKZGKFRWWPVIV-UHFFFAOYSA-N
XLogP0.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

9-heptan-2-yl-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947707
9-(2-butoxyethyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947657
4-(2-butoxyethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115947658
4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598636
8-methyl-9-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886681
11-propyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64883747
9-[2-(dimethylamino)propyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599987
3,3-diethyl-1-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64887515
9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599761
4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 115947356
4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598786
9-(4-methylpentan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599241

Frequently Asked Questions

What is the IUPAC name of 3-propyl-2,3-diazaspiro[4.4]nonane-1,4-dione?
The IUPAC name of 3-propyl-2,3-diazaspiro[4.4]nonane-1,4-dione (CID 10726556) is 3-propyl-2,3-diazaspiro[4.4]nonane-1,4-dione.
What is the SMILES notation for 3-propyl-2,3-diazaspiro[4.4]nonane-1,4-dione?
The canonical SMILES for 3-propyl-2,3-diazaspiro[4.4]nonane-1,4-dione is CCCN1NC(=O)C2(CCCC2)C1=O.
What is the InChIKey of 3-propyl-2,3-diazaspiro[4.4]nonane-1,4-dione?
The InChIKey is LLKZGKFRWWPVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-7-12-9(14)10(8(13)11-12)5-3-4-6-10/h2-7H2,1H3,(H,11,13).
What are the key properties of 3-propyl-2,3-diazaspiro[4.4]nonane-1,4-dione?
3-propyl-2,3-diazaspiro[4.4]nonane-1,4-dione has a molecular weight of 196.25 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-2,3-diazaspiro[4.4]nonane-1,4-dione is sourced from PubChem (CID 10726556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).