6-methyl-2-propyl-4,6-diazaspiro[2.4]heptane-5,7-dione

C9H14N2O2 — CID 46933613

IUPAC6-methyl-2-propyl-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESCCCC1CC12NC(=O)N(C)C2=O
InChIInChI=1S/C9H14N2O2/c1-3-4-6-5-9(6)7(12)11(2)8(13)10-9/h6H,3-5H2,1-2H3,(H,10,13)
InChIKeyQNHUTHDYYCEIJA-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.73
Rot. Bonds2

About 6-methyl-2-propyl-4,6-diazaspiro[2.4]heptane-5,7-dione

6-methyl-2-propyl-4,6-diazaspiro[2.4]heptane-5,7-dione (PubChem CID 46933613) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 6-methyl-2-propyl-4,6-diazaspiro[2.4]heptane-5,7-dione.

Molecular Properties

Compound Name6-methyl-2-propyl-4,6-diazaspiro[2.4]heptane-5,7-dione
PubChem CID46933613
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name6-methyl-2-propyl-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESCCCC1CC12NC(=O)N(C)C2=O
InChIInChI=1S/C9H14N2O2/c1-3-4-6-5-9(6)7(12)11(2)8(13)10-9/h6H,3-5H2,1-2H3,(H,10,13)
InChIKeyQNHUTHDYYCEIJA-UHFFFAOYSA-N
XLogP0.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propyl-4,6-diazaspiro[2.4]heptane-5,7-dione?
The IUPAC name of 6-methyl-2-propyl-4,6-diazaspiro[2.4]heptane-5,7-dione (CID 46933613) is 6-methyl-2-propyl-4,6-diazaspiro[2.4]heptane-5,7-dione.
What is the SMILES notation for 6-methyl-2-propyl-4,6-diazaspiro[2.4]heptane-5,7-dione?
The canonical SMILES for 6-methyl-2-propyl-4,6-diazaspiro[2.4]heptane-5,7-dione is CCCC1CC12NC(=O)N(C)C2=O.
What is the InChIKey of 6-methyl-2-propyl-4,6-diazaspiro[2.4]heptane-5,7-dione?
The InChIKey is QNHUTHDYYCEIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-4-6-5-9(6)7(12)11(2)8(13)10-9/h6H,3-5H2,1-2H3,(H,10,13).
What are the key properties of 6-methyl-2-propyl-4,6-diazaspiro[2.4]heptane-5,7-dione?
6-methyl-2-propyl-4,6-diazaspiro[2.4]heptane-5,7-dione has a molecular weight of 182.22 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propyl-4,6-diazaspiro[2.4]heptane-5,7-dione is sourced from PubChem (CID 46933613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).