2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide

C13H20N4O2 — CID 46985220

IUPAC2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
SMILESCCNC(=O)N1CCC2(CC1)N=C(C1CC1)NC2=O
InChIInChI=1S/C13H20N4O2/c1-2-14-12(19)17-7-5-13(6-8-17)11(18)15-10(16-13)9-3-4-9/h9H,2-8H2,1H3,(H,14,19)(H,15,16,18)
InChIKeyNHEVGVCDKHVRSQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.49
Rot. Bonds2

About 2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide

2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide (PubChem CID 46985220) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
PubChem CID46985220
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
SMILESCCNC(=O)N1CCC2(CC1)N=C(C1CC1)NC2=O
InChIInChI=1S/C13H20N4O2/c1-2-14-12(19)17-7-5-13(6-8-17)11(18)15-10(16-13)9-3-4-9/h9H,2-8H2,1H3,(H,14,19)(H,15,16,18)
InChIKeyNHEVGVCDKHVRSQ-UHFFFAOYSA-N
XLogP0.49
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The IUPAC name of 2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide (CID 46985220) is 2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide is CCNC(=O)N1CCC2(CC1)N=C(C1CC1)NC2=O.
What is the InChIKey of 2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The InChIKey is NHEVGVCDKHVRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-14-12(19)17-7-5-13(6-8-17)11(18)15-10(16-13)9-3-4-9/h9H,2-8H2,1H3,(H,14,19)(H,15,16,18).
What are the key properties of 2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide is sourced from PubChem (CID 46985220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).