2-[(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylideneimidazol-1-yl]acetonitrile

C10H10FN3 — CID 134239602

IUPAC2-[(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylideneimidazol-1-yl]acetonitrile
SMILESC=c1ncn(CC#N)/c1=C/C(F)=C\C
InChIInChI=1S/C10H10FN3/c1-3-9(11)6-10-8(2)13-7-14(10)5-4-12/h3,6-7H,2,5H2,1H3/b9-3+,10-6+
InChIKeyCQCKTMHROHXZOP-AERWKNDNSA-N
MW191.21 g/mol
LogP0.47
Rot. Bonds2

About 2-[(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylideneimidazol-1-yl]acetonitrile

2-[(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylideneimidazol-1-yl]acetonitrile (PubChem CID 134239602) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is 2-[(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylideneimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylideneimidazol-1-yl]acetonitrile
PubChem CID134239602
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name2-[(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylideneimidazol-1-yl]acetonitrile
SMILESC=c1ncn(CC#N)/c1=C/C(F)=C\C
InChIInChI=1S/C10H10FN3/c1-3-9(11)6-10-8(2)13-7-14(10)5-4-12/h3,6-7H,2,5H2,1H3/b9-3+,10-6+
InChIKeyCQCKTMHROHXZOP-AERWKNDNSA-N
XLogP0.47
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylideneimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylideneimidazol-1-yl]acetonitrile (CID 134239602) is 2-[(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylideneimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylideneimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylideneimidazol-1-yl]acetonitrile is C=c1ncn(CC#N)/c1=C/C(F)=C\C.
What is the InChIKey of 2-[(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylideneimidazol-1-yl]acetonitrile?
The InChIKey is CQCKTMHROHXZOP-AERWKNDNSA-N. The full InChI is InChI=1S/C10H10FN3/c1-3-9(11)6-10-8(2)13-7-14(10)5-4-12/h3,6-7H,2,5H2,1H3/b9-3+,10-6+.
What are the key properties of 2-[(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylideneimidazol-1-yl]acetonitrile?
2-[(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylideneimidazol-1-yl]acetonitrile has a molecular weight of 191.21 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylideneimidazol-1-yl]acetonitrile is sourced from PubChem (CID 134239602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).