2-fluoro-3-pyrrolidin-2-ylprop-2-enamide

C7H11FN2O — CID 169230673

IUPAC2-fluoro-3-pyrrolidin-2-ylprop-2-enamide
SMILESNC(=O)C(F)=CC1CCCN1
InChIInChI=1S/C7H11FN2O/c8-6(7(9)11)4-5-2-1-3-10-5/h4-5,10H,1-3H2,(H2,9,11)
InChIKeyNKCDDMNJVNWZOU-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.08
Rot. Bonds2

About 2-fluoro-3-pyrrolidin-2-ylprop-2-enamide

2-fluoro-3-pyrrolidin-2-ylprop-2-enamide (PubChem CID 169230673) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 2-fluoro-3-pyrrolidin-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-fluoro-3-pyrrolidin-2-ylprop-2-enamide
PubChem CID169230673
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name2-fluoro-3-pyrrolidin-2-ylprop-2-enamide
SMILESNC(=O)C(F)=CC1CCCN1
InChIInChI=1S/C7H11FN2O/c8-6(7(9)11)4-5-2-1-3-10-5/h4-5,10H,1-3H2,(H2,9,11)
InChIKeyNKCDDMNJVNWZOU-UHFFFAOYSA-N
XLogP0.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.08
H-Bond Donors ≤ 52
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-3-pyrrolidin-2-ylprop-2-enamide?
The IUPAC name of 2-fluoro-3-pyrrolidin-2-ylprop-2-enamide (CID 169230673) is 2-fluoro-3-pyrrolidin-2-ylprop-2-enamide.
What is the SMILES notation for 2-fluoro-3-pyrrolidin-2-ylprop-2-enamide?
The canonical SMILES for 2-fluoro-3-pyrrolidin-2-ylprop-2-enamide is NC(=O)C(F)=CC1CCCN1.
What is the InChIKey of 2-fluoro-3-pyrrolidin-2-ylprop-2-enamide?
The InChIKey is NKCDDMNJVNWZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c8-6(7(9)11)4-5-2-1-3-10-5/h4-5,10H,1-3H2,(H2,9,11).
What are the key properties of 2-fluoro-3-pyrrolidin-2-ylprop-2-enamide?
2-fluoro-3-pyrrolidin-2-ylprop-2-enamide has a molecular weight of 158.18 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-pyrrolidin-2-ylprop-2-enamide is sourced from PubChem (CID 169230673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).