1-[(E)-4-fluorobut-2-enoyl]pyrrolidin-2-one

C8H10FNO2 — CID 135084072

IUPAC1-[(E)-4-fluorobut-2-enoyl]pyrrolidin-2-one
SMILESO=C(/C=C/CF)N1CCCC1=O
InChIInChI=1S/C8H10FNO2/c9-5-1-3-7(11)10-6-2-4-8(10)12/h1,3H,2,4-6H2/b3-1+
InChIKeySEOXRUFCGRVHNB-HNQUOIGGSA-N
MW171.17 g/mol
LogP0.66
Rot. Bonds2

About 1-[(E)-4-fluorobut-2-enoyl]pyrrolidin-2-one

1-[(E)-4-fluorobut-2-enoyl]pyrrolidin-2-one (PubChem CID 135084072) has the molecular formula C8H10FNO2 and a molecular weight of 171.17 g/mol. Its IUPAC name is 1-[(E)-4-fluorobut-2-enoyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(E)-4-fluorobut-2-enoyl]pyrrolidin-2-one
PubChem CID135084072
Molecular FormulaC8H10FNO2
Molecular Weight171.17 g/mol
Exact Mass171.07
IUPAC Name1-[(E)-4-fluorobut-2-enoyl]pyrrolidin-2-one
SMILESO=C(/C=C/CF)N1CCCC1=O
InChIInChI=1S/C8H10FNO2/c9-5-1-3-7(11)10-6-2-4-8(10)12/h1,3H,2,4-6H2/b3-1+
InChIKeySEOXRUFCGRVHNB-HNQUOIGGSA-N
XLogP0.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-fluorobut-2-enoyl]pyrrolidin-2-one?
The IUPAC name of 1-[(E)-4-fluorobut-2-enoyl]pyrrolidin-2-one (CID 135084072) is 1-[(E)-4-fluorobut-2-enoyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(E)-4-fluorobut-2-enoyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(E)-4-fluorobut-2-enoyl]pyrrolidin-2-one is O=C(/C=C/CF)N1CCCC1=O.
What is the InChIKey of 1-[(E)-4-fluorobut-2-enoyl]pyrrolidin-2-one?
The InChIKey is SEOXRUFCGRVHNB-HNQUOIGGSA-N. The full InChI is InChI=1S/C8H10FNO2/c9-5-1-3-7(11)10-6-2-4-8(10)12/h1,3H,2,4-6H2/b3-1+.
What are the key properties of 1-[(E)-4-fluorobut-2-enoyl]pyrrolidin-2-one?
1-[(E)-4-fluorobut-2-enoyl]pyrrolidin-2-one has a molecular weight of 171.17 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-fluorobut-2-enoyl]pyrrolidin-2-one is sourced from PubChem (CID 135084072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).