(E)-4-fluoro-1-pyrrolidin-1-ylbut-3-en-1-one

C8H12FNO — CID 142246735

IUPAC(E)-4-fluoro-1-pyrrolidin-1-ylbut-3-en-1-one
SMILESO=C(C/C=C/F)N1CCCC1
InChIInChI=1S/C8H12FNO/c9-5-3-4-8(11)10-6-1-2-7-10/h3,5H,1-2,4,6-7H2/b5-3+
InChIKeyYZNRTMBXCOPHGB-HWKANZROSA-N
MW157.19 g/mol
LogP1.48
Rot. Bonds2

About (E)-4-fluoro-1-pyrrolidin-1-ylbut-3-en-1-one

(E)-4-fluoro-1-pyrrolidin-1-ylbut-3-en-1-one (PubChem CID 142246735) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is (E)-4-fluoro-1-pyrrolidin-1-ylbut-3-en-1-one.

Molecular Properties

Compound Name(E)-4-fluoro-1-pyrrolidin-1-ylbut-3-en-1-one
PubChem CID142246735
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name(E)-4-fluoro-1-pyrrolidin-1-ylbut-3-en-1-one
SMILESO=C(C/C=C/F)N1CCCC1
InChIInChI=1S/C8H12FNO/c9-5-3-4-8(11)10-6-1-2-7-10/h3,5H,1-2,4,6-7H2/b5-3+
InChIKeyYZNRTMBXCOPHGB-HWKANZROSA-N
XLogP1.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
1,3-bis(azepan-1-yl)propane-1,3-dione
CID 108952660
(2-oxo-2-pyrrolidin-1-ylethyl)azanium
CID 40787505
2-amino-1-piperidin-1-ylethanone;methanol
CID 142937104
formic acid;1-pyrrolidin-1-ylpropan-1-one
CID 142278991
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone
CID 14367450
1-(aziridin-1-yl)but-3-en-1-one
CID 170562782
1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
CID 146415893
1-(azepan-1-yl)propan-1-one
CID 3613534
N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide
CID 89247006

Frequently Asked Questions

What is the IUPAC name of (E)-4-fluoro-1-pyrrolidin-1-ylbut-3-en-1-one?
The IUPAC name of (E)-4-fluoro-1-pyrrolidin-1-ylbut-3-en-1-one (CID 142246735) is (E)-4-fluoro-1-pyrrolidin-1-ylbut-3-en-1-one.
What is the SMILES notation for (E)-4-fluoro-1-pyrrolidin-1-ylbut-3-en-1-one?
The canonical SMILES for (E)-4-fluoro-1-pyrrolidin-1-ylbut-3-en-1-one is O=C(C/C=C/F)N1CCCC1.
What is the InChIKey of (E)-4-fluoro-1-pyrrolidin-1-ylbut-3-en-1-one?
The InChIKey is YZNRTMBXCOPHGB-HWKANZROSA-N. The full InChI is InChI=1S/C8H12FNO/c9-5-3-4-8(11)10-6-1-2-7-10/h3,5H,1-2,4,6-7H2/b5-3+.
What are the key properties of (E)-4-fluoro-1-pyrrolidin-1-ylbut-3-en-1-one?
(E)-4-fluoro-1-pyrrolidin-1-ylbut-3-en-1-one has a molecular weight of 157.19 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-fluoro-1-pyrrolidin-1-ylbut-3-en-1-one is sourced from PubChem (CID 142246735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).