4-amino-1-(cyclopropylmethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one

C13H18F3N3O — CID 79979743

IUPAC4-amino-1-(cyclopropylmethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESNC1=NC(=O)N(CC2CC2)C12CCC(C(F)(F)F)CC2
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)9-3-5-12(6-4-9)10(17)18-11(20)19(12)7-8-1-2-8/h8-9H,1-7H2,(H2,17,18,20)
InChIKeyNYNHHZNUIYJAOC-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.68
Rot. Bonds2

About 4-amino-1-(cyclopropylmethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-1-(cyclopropylmethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79979743) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-amino-1-(cyclopropylmethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-(cyclopropylmethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79979743
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name4-amino-1-(cyclopropylmethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESNC1=NC(=O)N(CC2CC2)C12CCC(C(F)(F)F)CC2
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)9-3-5-12(6-4-9)10(17)18-11(20)19(12)7-8-1-2-8/h8-9H,1-7H2,(H2,17,18,20)
InChIKeyNYNHHZNUIYJAOC-UHFFFAOYSA-N
XLogP2.68
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(cyclopropylmethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-(cyclopropylmethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79979743) is 4-amino-1-(cyclopropylmethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-(cyclopropylmethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-(cyclopropylmethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one is NC1=NC(=O)N(CC2CC2)C12CCC(C(F)(F)F)CC2.
What is the InChIKey of 4-amino-1-(cyclopropylmethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is NYNHHZNUIYJAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c14-13(15,16)9-3-5-12(6-4-9)10(17)18-11(20)19(12)7-8-1-2-8/h8-9H,1-7H2,(H2,17,18,20).
What are the key properties of 4-amino-1-(cyclopropylmethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1-(cyclopropylmethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 289.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(cyclopropylmethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79979743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).