2-[(2E)-2-(2-fluoro-3-methylbut-2-enylidene)-3H-pyrrol-1-yl]acetamide

C11H15FN2O — CID 146550576

IUPAC2-[(2E)-2-(2-fluoro-3-methylbut-2-enylidene)-3H-pyrrol-1-yl]acetamide
SMILESCC(C)=C(F)/C=C1\CC=CN1CC(N)=O
InChIInChI=1S/C11H15FN2O/c1-8(2)10(12)6-9-4-3-5-14(9)7-11(13)15/h3,5-6H,4,7H2,1-2H3,(H2,13,15)/b9-6+
InChIKeyDCRAOWLZDZMFTI-RMKNXTFCSA-N
MW210.25 g/mol
LogP1.84
Rot. Bonds3

About 2-[(2E)-2-(2-fluoro-3-methylbut-2-enylidene)-3H-pyrrol-1-yl]acetamide

2-[(2E)-2-(2-fluoro-3-methylbut-2-enylidene)-3H-pyrrol-1-yl]acetamide (PubChem CID 146550576) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-[(2E)-2-(2-fluoro-3-methylbut-2-enylidene)-3H-pyrrol-1-yl]acetamide.

Molecular Properties

Compound Name2-[(2E)-2-(2-fluoro-3-methylbut-2-enylidene)-3H-pyrrol-1-yl]acetamide
PubChem CID146550576
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name2-[(2E)-2-(2-fluoro-3-methylbut-2-enylidene)-3H-pyrrol-1-yl]acetamide
SMILESCC(C)=C(F)/C=C1\CC=CN1CC(N)=O
InChIInChI=1S/C11H15FN2O/c1-8(2)10(12)6-9-4-3-5-14(9)7-11(13)15/h3,5-6H,4,7H2,1-2H3,(H2,13,15)/b9-6+
InChIKeyDCRAOWLZDZMFTI-RMKNXTFCSA-N
XLogP1.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-(2-fluoro-3-methylbut-2-enylidene)-3H-pyrrol-1-yl]acetamide?
The IUPAC name of 2-[(2E)-2-(2-fluoro-3-methylbut-2-enylidene)-3H-pyrrol-1-yl]acetamide (CID 146550576) is 2-[(2E)-2-(2-fluoro-3-methylbut-2-enylidene)-3H-pyrrol-1-yl]acetamide.
What is the SMILES notation for 2-[(2E)-2-(2-fluoro-3-methylbut-2-enylidene)-3H-pyrrol-1-yl]acetamide?
The canonical SMILES for 2-[(2E)-2-(2-fluoro-3-methylbut-2-enylidene)-3H-pyrrol-1-yl]acetamide is CC(C)=C(F)/C=C1\CC=CN1CC(N)=O.
What is the InChIKey of 2-[(2E)-2-(2-fluoro-3-methylbut-2-enylidene)-3H-pyrrol-1-yl]acetamide?
The InChIKey is DCRAOWLZDZMFTI-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-8(2)10(12)6-9-4-3-5-14(9)7-11(13)15/h3,5-6H,4,7H2,1-2H3,(H2,13,15)/b9-6+.
What are the key properties of 2-[(2E)-2-(2-fluoro-3-methylbut-2-enylidene)-3H-pyrrol-1-yl]acetamide?
2-[(2E)-2-(2-fluoro-3-methylbut-2-enylidene)-3H-pyrrol-1-yl]acetamide has a molecular weight of 210.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-(2-fluoro-3-methylbut-2-enylidene)-3H-pyrrol-1-yl]acetamide is sourced from PubChem (CID 146550576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).