2-(1-fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one

C11H17FN2O — CID 142619012

IUPAC2-(1-fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCCCC(F)C1=NC2(CCCC2)C(=O)N1
InChIInChI=1S/C11H17FN2O/c1-2-5-8(12)9-13-10(15)11(14-9)6-3-4-7-11/h8H,2-7H2,1H3,(H,13,14,15)
InChIKeyUKPNXVIWLMZZES-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.97
Rot. Bonds3

About 2-(1-fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one

2-(1-fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one (PubChem CID 142619012) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(1-fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one.

Molecular Properties

Compound Name2-(1-fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one
PubChem CID142619012
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name2-(1-fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCCCC(F)C1=NC2(CCCC2)C(=O)N1
InChIInChI=1S/C11H17FN2O/c1-2-5-8(12)9-13-10(15)11(14-9)6-3-4-7-11/h8H,2-7H2,1H3,(H,13,14,15)
InChIKeyUKPNXVIWLMZZES-UHFFFAOYSA-N
XLogP1.97
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one?
The IUPAC name of 2-(1-fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one (CID 142619012) is 2-(1-fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one.
What is the SMILES notation for 2-(1-fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one?
The canonical SMILES for 2-(1-fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one is CCCC(F)C1=NC2(CCCC2)C(=O)N1.
What is the InChIKey of 2-(1-fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one?
The InChIKey is UKPNXVIWLMZZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-2-5-8(12)9-13-10(15)11(14-9)6-3-4-7-11/h8H,2-7H2,1H3,(H,13,14,15).
What are the key properties of 2-(1-fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one?
2-(1-fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one has a molecular weight of 212.27 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one is sourced from PubChem (CID 142619012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).