(2S)-4-fluoro-2-methyl-1,2-dihydropyrrol-5-one

C5H6FNO — CID 55299268

IUPAC(2S)-4-fluoro-2-methyl-1,2-dihydropyrrol-5-one
SMILESC[C@H]1C=C(F)C(=O)N1
InChIInChI=1S/C5H6FNO/c1-3-2-4(6)5(8)7-3/h2-3H,1H3,(H,7,8)/t3-/m0/s1
InChIKeyVDJUILOYOYKMIA-VKHMYHEASA-N
MW115.11 g/mol
LogP0.36
Rot. Bonds

About (2S)-4-fluoro-2-methyl-1,2-dihydropyrrol-5-one

(2S)-4-fluoro-2-methyl-1,2-dihydropyrrol-5-one (PubChem CID 55299268) has the molecular formula C5H6FNO and a molecular weight of 115.11 g/mol. Its IUPAC name is (2S)-4-fluoro-2-methyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name(2S)-4-fluoro-2-methyl-1,2-dihydropyrrol-5-one
PubChem CID55299268
Molecular FormulaC5H6FNO
Molecular Weight115.11 g/mol
Exact Mass115.04
IUPAC Name(2S)-4-fluoro-2-methyl-1,2-dihydropyrrol-5-one
SMILESC[C@H]1C=C(F)C(=O)N1
InChIInChI=1S/C5H6FNO/c1-3-2-4(6)5(8)7-3/h2-3H,1H3,(H,7,8)/t3-/m0/s1
InChIKeyVDJUILOYOYKMIA-VKHMYHEASA-N
XLogP0.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-fluoro-2-methyl-1,2-dihydropyrrol-5-one?
The IUPAC name of (2S)-4-fluoro-2-methyl-1,2-dihydropyrrol-5-one (CID 55299268) is (2S)-4-fluoro-2-methyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for (2S)-4-fluoro-2-methyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for (2S)-4-fluoro-2-methyl-1,2-dihydropyrrol-5-one is C[C@H]1C=C(F)C(=O)N1.
What is the InChIKey of (2S)-4-fluoro-2-methyl-1,2-dihydropyrrol-5-one?
The InChIKey is VDJUILOYOYKMIA-VKHMYHEASA-N. The full InChI is InChI=1S/C5H6FNO/c1-3-2-4(6)5(8)7-3/h2-3H,1H3,(H,7,8)/t3-/m0/s1.
What are the key properties of (2S)-4-fluoro-2-methyl-1,2-dihydropyrrol-5-one?
(2S)-4-fluoro-2-methyl-1,2-dihydropyrrol-5-one has a molecular weight of 115.11 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-fluoro-2-methyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 55299268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).