2-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C11H19N3O — CID 70995660

IUPAC2-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC1=NC2(CCN(C(C)C)CC2)C(=O)N1
InChIInChI=1S/C11H19N3O/c1-8(2)14-6-4-11(5-7-14)10(15)12-9(3)13-11/h8H,4-7H2,1-3H3,(H,12,13,15)
InChIKeyIHHISBYWVKXDSS-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.78
Rot. Bonds1

About 2-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 70995660) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID70995660
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC1=NC2(CCN(C(C)C)CC2)C(=O)N1
InChIInChI=1S/C11H19N3O/c1-8(2)14-6-4-11(5-7-14)10(15)12-9(3)13-11/h8H,4-7H2,1-3H3,(H,12,13,15)
InChIKeyIHHISBYWVKXDSS-UHFFFAOYSA-N
XLogP0.78
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 70995660) is 2-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CC1=NC2(CCN(C(C)C)CC2)C(=O)N1.
What is the InChIKey of 2-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is IHHISBYWVKXDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)14-6-4-11(5-7-14)10(15)12-9(3)13-11/h8H,4-7H2,1-3H3,(H,12,13,15).
What are the key properties of 2-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 209.29 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 70995660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).