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

C8H12N2O2 — CID 46933612

IUPAC2-ethyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESCCC1CC12NC(=O)N(C)C2=O
InChIInChI=1S/C8H12N2O2/c1-3-5-4-8(5)6(11)10(2)7(12)9-8/h5H,3-4H2,1-2H3,(H,9,12)
InChIKeyOWVZKMHZIULXBD-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.34
Rot. Bonds1

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

2-ethyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione (PubChem CID 46933612) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-ethyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione.

Molecular Properties

Compound Name2-ethyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione
PubChem CID46933612
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-ethyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESCCC1CC12NC(=O)N(C)C2=O
InChIInChI=1S/C8H12N2O2/c1-3-5-4-8(5)6(11)10(2)7(12)9-8/h5H,3-4H2,1-2H3,(H,9,12)
InChIKeyOWVZKMHZIULXBD-UHFFFAOYSA-N
XLogP0.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 141385
CID 141385
CID 231389
CID 231389
CID 13423
CID 13423
CID 12816
CID 12816
CID 232553
CID 232553
CID 13424
CID 13424
CID 3865268
CID 3865268
CID 43840157
CID 43840157
CID 46933611
CID 46933611
CID 46933613
CID 46933613
CID 46933614
CID 46933614
CID 46933764
CID 46933764

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione?
The IUPAC name of 2-ethyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione (CID 46933612) is 2-ethyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione.
What is the SMILES notation for 2-ethyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione?
The canonical SMILES for 2-ethyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione is CCC1CC12NC(=O)N(C)C2=O.
What is the InChIKey of 2-ethyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione?
The InChIKey is OWVZKMHZIULXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-5-4-8(5)6(11)10(2)7(12)9-8/h5H,3-4H2,1-2H3,(H,9,12).
What are the key properties of 2-ethyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione?
2-ethyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione has a molecular weight of 168.20 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione is sourced from PubChem (CID 46933612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).