2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane

C19H34N4O2 — CID 170592109

About 2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane

2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane (PubChem CID 170592109) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane.

Molecular Properties

• Compound Name: 2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane
• PubChem CID: 170592109
• Molecular Formula: C19H34N4O2
• Molecular Weight: 350.51 g/mol
• Exact Mass: 350.27
• IUPAC Name: 2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane
• SMILES: CC.CCCCC1=NC2(CCN(C(=O)N3CCCC3)CC2)C(=O)N1C
• InChI: InChI=1S/C17H28N4O2.C2H6/c1-3-4-7-14-18-17(15(22)19(14)2)8-12-21(13-9-17)16(23)20-10-5-6-11-20;1-2/h3-13H2,1-2H3;1-2H3
• InChIKey: FCFRWQPBVWHPRE-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 56.22 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.51
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane?

The IUPAC name of 2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane (CID 170592109) is 2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane.

What is the SMILES notation for 2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane?

The canonical SMILES for 2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane is CC.CCCCC1=NC2(CCN(C(=O)N3CCCC3)CC2)C(=O)N1C.

What is the InChIKey of 2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane?

The InChIKey is FCFRWQPBVWHPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2.C2H6/c1-3-4-7-14-18-17(15(22)19(14)2)8-12-21(13-9-17)16(23)20-10-5-6-11-20;1-2/h3-13H2,1-2H3;1-2H3.

What are the key properties of 2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane?

2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane has a molecular weight of 350.51 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane is sourced from PubChem (CID 170592109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).