2-methylidene-7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonan-4-one

C11H17N3O2 — CID 122675593

IUPAC2-methylidene-7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonan-4-one
SMILESC=C1NC(=O)C2(CCN(C(=O)C(C)C)C2)N1
InChIInChI=1S/C11H17N3O2/c1-7(2)9(15)14-5-4-11(6-14)10(16)12-8(3)13-11/h7,13H,3-6H2,1-2H3,(H,12,16)
InChIKeyYWJVKDBUSOBGHZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.20
Rot. Bonds1

About 2-methylidene-7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonan-4-one

2-methylidene-7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonan-4-one (PubChem CID 122675593) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methylidene-7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name2-methylidene-7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonan-4-one
PubChem CID122675593
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-methylidene-7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonan-4-one
SMILESC=C1NC(=O)C2(CCN(C(=O)C(C)C)C2)N1
InChIInChI=1S/C11H17N3O2/c1-7(2)9(15)14-5-4-11(6-14)10(16)12-8(3)13-11/h7,13H,3-6H2,1-2H3,(H,12,16)
InChIKeyYWJVKDBUSOBGHZ-UHFFFAOYSA-N
XLogP-0.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonan-4-one?
The IUPAC name of 2-methylidene-7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonan-4-one (CID 122675593) is 2-methylidene-7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 2-methylidene-7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonan-4-one?
The canonical SMILES for 2-methylidene-7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonan-4-one is C=C1NC(=O)C2(CCN(C(=O)C(C)C)C2)N1.
What is the InChIKey of 2-methylidene-7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonan-4-one?
The InChIKey is YWJVKDBUSOBGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(2)9(15)14-5-4-11(6-14)10(16)12-8(3)13-11/h7,13H,3-6H2,1-2H3,(H,12,16).
What are the key properties of 2-methylidene-7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonan-4-one?
2-methylidene-7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonan-4-one has a molecular weight of 223.28 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-7-(2-methylpropanoyl)-1,3,7-triazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 122675593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).