6,7-diethyl-4-methyl-4,8-diazaspiro[2.6]non-6-en-9-one

C12H20N2O — CID 70667172

IUPAC6,7-diethyl-4-methyl-4,8-diazaspiro[2.6]non-6-en-9-one
SMILESCCC1=C(CC)NC(=O)C2(CC2)N(C)C1
InChIInChI=1S/C12H20N2O/c1-4-9-8-14(3)12(6-7-12)11(15)13-10(9)5-2/h4-8H2,1-3H3,(H,13,15)
InChIKeyANWXICQIFYMGDS-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.65
Rot. Bonds2

About 6,7-diethyl-4-methyl-4,8-diazaspiro[2.6]non-6-en-9-one

6,7-diethyl-4-methyl-4,8-diazaspiro[2.6]non-6-en-9-one (PubChem CID 70667172) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 6,7-diethyl-4-methyl-4,8-diazaspiro[2.6]non-6-en-9-one.

Molecular Properties

Compound Name6,7-diethyl-4-methyl-4,8-diazaspiro[2.6]non-6-en-9-one
PubChem CID70667172
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name6,7-diethyl-4-methyl-4,8-diazaspiro[2.6]non-6-en-9-one
SMILESCCC1=C(CC)NC(=O)C2(CC2)N(C)C1
InChIInChI=1S/C12H20N2O/c1-4-9-8-14(3)12(6-7-12)11(15)13-10(9)5-2/h4-8H2,1-3H3,(H,13,15)
InChIKeyANWXICQIFYMGDS-UHFFFAOYSA-N
XLogP1.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-diethyl-4-methyl-4,8-diazaspiro[2.6]non-6-en-9-one?
The IUPAC name of 6,7-diethyl-4-methyl-4,8-diazaspiro[2.6]non-6-en-9-one (CID 70667172) is 6,7-diethyl-4-methyl-4,8-diazaspiro[2.6]non-6-en-9-one.
What is the SMILES notation for 6,7-diethyl-4-methyl-4,8-diazaspiro[2.6]non-6-en-9-one?
The canonical SMILES for 6,7-diethyl-4-methyl-4,8-diazaspiro[2.6]non-6-en-9-one is CCC1=C(CC)NC(=O)C2(CC2)N(C)C1.
What is the InChIKey of 6,7-diethyl-4-methyl-4,8-diazaspiro[2.6]non-6-en-9-one?
The InChIKey is ANWXICQIFYMGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-9-8-14(3)12(6-7-12)11(15)13-10(9)5-2/h4-8H2,1-3H3,(H,13,15).
What are the key properties of 6,7-diethyl-4-methyl-4,8-diazaspiro[2.6]non-6-en-9-one?
6,7-diethyl-4-methyl-4,8-diazaspiro[2.6]non-6-en-9-one has a molecular weight of 208.30 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethyl-4-methyl-4,8-diazaspiro[2.6]non-6-en-9-one is sourced from PubChem (CID 70667172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).