2-butyl-3-ethyl-9-(pyrrolidine-1-carbonyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one

C18H30N4O2 — CID 170412172

IUPAC2-butyl-3-ethyl-9-(pyrrolidine-1-carbonyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one
SMILESCCCCC1=NC2(CCCN(C(=O)N3CCCC3)C2)C(=O)N1CC
InChIInChI=1S/C18H30N4O2/c1-3-5-9-15-19-18(16(23)22(15)4-2)10-8-13-21(14-18)17(24)20-11-6-7-12-20/h3-14H2,1-2H3
InChIKeyHZVMLAMGIKSFGE-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.49
Rot. Bonds4

About 2-butyl-3-ethyl-9-(pyrrolidine-1-carbonyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one

2-butyl-3-ethyl-9-(pyrrolidine-1-carbonyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 170412172) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-butyl-3-ethyl-9-(pyrrolidine-1-carbonyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-butyl-3-ethyl-9-(pyrrolidine-1-carbonyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one
PubChem CID170412172
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name2-butyl-3-ethyl-9-(pyrrolidine-1-carbonyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one
SMILESCCCCC1=NC2(CCCN(C(=O)N3CCCC3)C2)C(=O)N1CC
InChIInChI=1S/C18H30N4O2/c1-3-5-9-15-19-18(16(23)22(15)4-2)10-8-13-21(14-18)17(24)20-11-6-7-12-20/h3-14H2,1-2H3
InChIKeyHZVMLAMGIKSFGE-UHFFFAOYSA-N
XLogP2.49
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-ethyl-9-(pyrrolidine-1-carbonyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-butyl-3-ethyl-9-(pyrrolidine-1-carbonyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one (CID 170412172) is 2-butyl-3-ethyl-9-(pyrrolidine-1-carbonyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-butyl-3-ethyl-9-(pyrrolidine-1-carbonyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-butyl-3-ethyl-9-(pyrrolidine-1-carbonyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one is CCCCC1=NC2(CCCN(C(=O)N3CCCC3)C2)C(=O)N1CC.
What is the InChIKey of 2-butyl-3-ethyl-9-(pyrrolidine-1-carbonyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is HZVMLAMGIKSFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-3-5-9-15-19-18(16(23)22(15)4-2)10-8-13-21(14-18)17(24)20-11-6-7-12-20/h3-14H2,1-2H3.
What are the key properties of 2-butyl-3-ethyl-9-(pyrrolidine-1-carbonyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one?
2-butyl-3-ethyl-9-(pyrrolidine-1-carbonyl)-1,3,9-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-9-(pyrrolidine-1-carbonyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 170412172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).