2-fluoro-1-[(2S)-2-prop-2-enylpyrrolidin-1-yl]prop-2-en-1-one

C10H14FNO — CID 122202877

IUPAC2-fluoro-1-[(2S)-2-prop-2-enylpyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC[C@@H]1CCCN1C(=O)C(=C)F
InChIInChI=1S/C10H14FNO/c1-3-5-9-6-4-7-12(9)10(13)8(2)11/h3,9H,1-2,4-7H2/t9-/m1/s1
InChIKeyFWQZWELXNIXYIB-SECBINFHSA-N
MW183.23 g/mol
LogP2.04
Rot. Bonds3

About 2-fluoro-1-[(2S)-2-prop-2-enylpyrrolidin-1-yl]prop-2-en-1-one

2-fluoro-1-[(2S)-2-prop-2-enylpyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 122202877) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-fluoro-1-[(2S)-2-prop-2-enylpyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name2-fluoro-1-[(2S)-2-prop-2-enylpyrrolidin-1-yl]prop-2-en-1-one
PubChem CID122202877
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name2-fluoro-1-[(2S)-2-prop-2-enylpyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC[C@@H]1CCCN1C(=O)C(=C)F
InChIInChI=1S/C10H14FNO/c1-3-5-9-6-4-7-12(9)10(13)8(2)11/h3,9H,1-2,4-7H2/t9-/m1/s1
InChIKeyFWQZWELXNIXYIB-SECBINFHSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-2-ethenylpyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 131153915
1-(2-Fluorohexa-1,5-dien-3-yl)pyrrolidin-2-one
CID 177852373
1-[2-(Prop-2-en-1-yl)pyrrolidin-1-yl]ethan-1-one
CID 71426690
1-[(2S)-2-ethyl-4,4-difluoropyrrolidin-1-yl]prop-2-en-1-one
CID 130426743
1-[(2R)-2-ethyl-4,4-difluoropyrrolidin-1-yl]prop-2-en-1-one
CID 130426744
1-[(2S)-4,4-difluoro-2-prop-1-en-2-ylpyrrolidin-1-yl]prop-2-en-1-one
CID 130426745
1-(2-Ethyl-4,4-difluoropyrrolidin-1-yl)prop-2-en-1-one
CID 130426854
1-(4,4-Difluoro-2-propylpyrrolidin-1-yl)prop-2-en-1-one
CID 130426858
1-[(2R)-4,4-difluoro-2-propylpyrrolidin-1-yl]prop-2-en-1-one
CID 138538932
1-[(2S)-2-ethenylpyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 141944069
Ethane;1-(2-ethyl-4,4-difluoropyrrolidin-1-yl)prop-2-en-1-one
CID 145368573
1-(4,4-Difluoro-2-prop-2-enylpyrrolidin-1-yl)propan-1-one
CID 154977530

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[(2S)-2-prop-2-enylpyrrolidin-1-yl]prop-2-en-1-one?
The IUPAC name of 2-fluoro-1-[(2S)-2-prop-2-enylpyrrolidin-1-yl]prop-2-en-1-one (CID 122202877) is 2-fluoro-1-[(2S)-2-prop-2-enylpyrrolidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 2-fluoro-1-[(2S)-2-prop-2-enylpyrrolidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 2-fluoro-1-[(2S)-2-prop-2-enylpyrrolidin-1-yl]prop-2-en-1-one is C=CC[C@@H]1CCCN1C(=O)C(=C)F.
What is the InChIKey of 2-fluoro-1-[(2S)-2-prop-2-enylpyrrolidin-1-yl]prop-2-en-1-one?
The InChIKey is FWQZWELXNIXYIB-SECBINFHSA-N. The full InChI is InChI=1S/C10H14FNO/c1-3-5-9-6-4-7-12(9)10(13)8(2)11/h3,9H,1-2,4-7H2/t9-/m1/s1.
What are the key properties of 2-fluoro-1-[(2S)-2-prop-2-enylpyrrolidin-1-yl]prop-2-en-1-one?
2-fluoro-1-[(2S)-2-prop-2-enylpyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 183.23 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[(2S)-2-prop-2-enylpyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 122202877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).