5-(4-fluorocyclohepta-1,3,6-trien-1-yl)-2-methylideneimidazolidin-4-one

C11H11FN2O — CID 143510816

IUPAC5-(4-fluorocyclohepta-1,3,6-trien-1-yl)-2-methylideneimidazolidin-4-one
SMILESC=C1NC(=O)C(C2=CC=C(F)CC=C2)N1
InChIInChI=1S/C11H11FN2O/c1-7-13-10(11(15)14-7)8-3-2-4-9(12)6-5-8/h2-3,5-6,10,13H,1,4H2,(H,14,15)
InChIKeyGTQZKBKRVVUIIE-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.29
Rot. Bonds1

About 5-(4-fluorocyclohepta-1,3,6-trien-1-yl)-2-methylideneimidazolidin-4-one

5-(4-fluorocyclohepta-1,3,6-trien-1-yl)-2-methylideneimidazolidin-4-one (PubChem CID 143510816) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 5-(4-fluorocyclohepta-1,3,6-trien-1-yl)-2-methylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-(4-fluorocyclohepta-1,3,6-trien-1-yl)-2-methylideneimidazolidin-4-one
PubChem CID143510816
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name5-(4-fluorocyclohepta-1,3,6-trien-1-yl)-2-methylideneimidazolidin-4-one
SMILESC=C1NC(=O)C(C2=CC=C(F)CC=C2)N1
InChIInChI=1S/C11H11FN2O/c1-7-13-10(11(15)14-7)8-3-2-4-9(12)6-5-8/h2-3,5-6,10,13H,1,4H2,(H,14,15)
InChIKeyGTQZKBKRVVUIIE-UHFFFAOYSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorocyclohepta-1,3,6-trien-1-yl)-2-methylideneimidazolidin-4-one?
The IUPAC name of 5-(4-fluorocyclohepta-1,3,6-trien-1-yl)-2-methylideneimidazolidin-4-one (CID 143510816) is 5-(4-fluorocyclohepta-1,3,6-trien-1-yl)-2-methylideneimidazolidin-4-one.
What is the SMILES notation for 5-(4-fluorocyclohepta-1,3,6-trien-1-yl)-2-methylideneimidazolidin-4-one?
The canonical SMILES for 5-(4-fluorocyclohepta-1,3,6-trien-1-yl)-2-methylideneimidazolidin-4-one is C=C1NC(=O)C(C2=CC=C(F)CC=C2)N1.
What is the InChIKey of 5-(4-fluorocyclohepta-1,3,6-trien-1-yl)-2-methylideneimidazolidin-4-one?
The InChIKey is GTQZKBKRVVUIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-7-13-10(11(15)14-7)8-3-2-4-9(12)6-5-8/h2-3,5-6,10,13H,1,4H2,(H,14,15).
What are the key properties of 5-(4-fluorocyclohepta-1,3,6-trien-1-yl)-2-methylideneimidazolidin-4-one?
5-(4-fluorocyclohepta-1,3,6-trien-1-yl)-2-methylideneimidazolidin-4-one has a molecular weight of 206.22 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorocyclohepta-1,3,6-trien-1-yl)-2-methylideneimidazolidin-4-one is sourced from PubChem (CID 143510816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).