1-[(3R)-3-fluoropyrrolidin-1-yl]prop-2-en-1-one

C7H10FNO — CID 135240666

IUPAC1-[(3R)-3-fluoropyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CC[C@@H](F)C1
InChIInChI=1S/C7H10FNO/c1-2-7(10)9-4-3-6(8)5-9/h2,6H,1,3-5H2/t6-/m1/s1
InChIKeyPDDDPFCJKRQSRE-ZCFIWIBFSA-N
MW143.16 g/mol
LogP0.74
Rot. Bonds1

About 1-[(3R)-3-fluoropyrrolidin-1-yl]prop-2-en-1-one

1-[(3R)-3-fluoropyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 135240666) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is 1-[(3R)-3-fluoropyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(3R)-3-fluoropyrrolidin-1-yl]prop-2-en-1-one
PubChem CID135240666
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name1-[(3R)-3-fluoropyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CC[C@@H](F)C1
InChIInChI=1S/C7H10FNO/c1-2-7(10)9-4-3-6(8)5-9/h2,6H,1,3-5H2/t6-/m1/s1
InChIKeyPDDDPFCJKRQSRE-ZCFIWIBFSA-N
XLogP0.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(3R)-3-fluoropyrrolidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[(3R)-3-fluoropyrrolidin-1-yl]prop-2-en-1-one (CID 135240666) is 1-[(3R)-3-fluoropyrrolidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(3R)-3-fluoropyrrolidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(3R)-3-fluoropyrrolidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CC[C@@H](F)C1.
What is the InChIKey of 1-[(3R)-3-fluoropyrrolidin-1-yl]prop-2-en-1-one?
The InChIKey is PDDDPFCJKRQSRE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H10FNO/c1-2-7(10)9-4-3-6(8)5-9/h2,6H,1,3-5H2/t6-/m1/s1.
What are the key properties of 1-[(3R)-3-fluoropyrrolidin-1-yl]prop-2-en-1-one?
1-[(3R)-3-fluoropyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 143.16 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-fluoropyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 135240666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).