2-fluoro-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide

C9H15FN2O — CID 163956165

IUPAC2-fluoro-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide
SMILESC=C(F)C(=O)NCCN1CCCC1
InChIInChI=1S/C9H15FN2O/c1-8(10)9(13)11-4-7-12-5-2-3-6-12/h1-7H2,(H,11,13)
InChIKeySDOCVMVWHWULAO-UHFFFAOYSA-N
MW186.23 g/mol
LogP0.68
Rot. Bonds4

About 2-fluoro-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide

2-fluoro-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide (PubChem CID 163956165) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 2-fluoro-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name2-fluoro-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide
PubChem CID163956165
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name2-fluoro-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide
SMILESC=C(F)C(=O)NCCN1CCCC1
InChIInChI=1S/C9H15FN2O/c1-8(10)9(13)11-4-7-12-5-2-3-6-12/h1-7H2,(H,11,13)
InChIKeySDOCVMVWHWULAO-UHFFFAOYSA-N
XLogP0.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 50.68
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-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide?
The IUPAC name of 2-fluoro-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide (CID 163956165) is 2-fluoro-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide.
What is the SMILES notation for 2-fluoro-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide?
The canonical SMILES for 2-fluoro-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide is C=C(F)C(=O)NCCN1CCCC1.
What is the InChIKey of 2-fluoro-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide?
The InChIKey is SDOCVMVWHWULAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-8(10)9(13)11-4-7-12-5-2-3-6-12/h1-7H2,(H,11,13).
What are the key properties of 2-fluoro-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide?
2-fluoro-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide has a molecular weight of 186.23 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide is sourced from PubChem (CID 163956165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).