2-fluoro-1-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]prop-2-en-1-one

C9H14FNO2 — CID 146225291

IUPAC2-fluoro-1-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]prop-2-en-1-one
SMILESC=C(F)C(=O)N1CCC[C@]1(C)CO
InChIInChI=1S/C9H14FNO2/c1-7(10)8(13)11-5-3-4-9(11,2)6-12/h12H,1,3-6H2,2H3/t9-/m1/s1
InChIKeyULSZFZRBXDSTLU-SECBINFHSA-N
MW187.21 g/mol
LogP0.84
Rot. Bonds2

About 2-fluoro-1-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]prop-2-en-1-one

2-fluoro-1-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 146225291) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is 2-fluoro-1-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name2-fluoro-1-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]prop-2-en-1-one
PubChem CID146225291
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Name2-fluoro-1-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]prop-2-en-1-one
SMILESC=C(F)C(=O)N1CCC[C@]1(C)CO
InChIInChI=1S/C9H14FNO2/c1-7(10)8(13)11-5-3-4-9(11,2)6-12/h12H,1,3-6H2,2H3/t9-/m1/s1
InChIKeyULSZFZRBXDSTLU-SECBINFHSA-N
XLogP0.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
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 2-fluoro-1-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]prop-2-en-1-one?
The IUPAC name of 2-fluoro-1-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]prop-2-en-1-one (CID 146225291) is 2-fluoro-1-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 2-fluoro-1-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 2-fluoro-1-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]prop-2-en-1-one is C=C(F)C(=O)N1CCC[C@]1(C)CO.
What is the InChIKey of 2-fluoro-1-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]prop-2-en-1-one?
The InChIKey is ULSZFZRBXDSTLU-SECBINFHSA-N. The full InChI is InChI=1S/C9H14FNO2/c1-7(10)8(13)11-5-3-4-9(11,2)6-12/h12H,1,3-6H2,2H3/t9-/m1/s1.
What are the key properties of 2-fluoro-1-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]prop-2-en-1-one?
2-fluoro-1-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 187.21 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 146225291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).