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

C18H30N4O2 — CID 170592298

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

2-butyl-3-ethyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 170592298) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-butyl-3-ethyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

• Compound Name: 2-butyl-3-ethyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
• PubChem CID: 170592298
• Molecular Formula: C18H30N4O2
• Molecular Weight: 334.46 g/mol
• Exact Mass: 334.24
• IUPAC Name: 2-butyl-3-ethyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
• SMILES: CCCCC1=NC2(CCN(C(=O)N3CCCC3)CC2)C(=O)N1CC
• InChI: InChI=1S/C18H30N4O2/c1-3-5-8-15-19-18(16(23)22(15)4-2)9-13-21(14-10-18)17(24)20-11-6-7-12-20/h3-14H2,1-2H3
• InChIKey: BYBZVZXUKYCGDH-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 56.22 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.46
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-butyl-3-ethyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 170592298) is 2-butyl-3-ethyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

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

The canonical SMILES for 2-butyl-3-ethyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CCCCC1=NC2(CCN(C(=O)N3CCCC3)CC2)C(=O)N1CC.

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

The InChIKey is BYBZVZXUKYCGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-3-5-8-15-19-18(16(23)22(15)4-2)9-13-21(14-10-18)17(24)20-11-6-7-12-20/h3-14H2,1-2H3.

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

2-butyl-3-ethyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 334.46 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butyl-3-ethyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 170592298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).