(E)-2-fluoro-3-(1-methylpyrrolidin-2-yl)-N-propan-2-ylprop-2-enamide

C11H19FN2O — CID 146980932

IUPAC(E)-2-fluoro-3-(1-methylpyrrolidin-2-yl)-N-propan-2-ylprop-2-enamide
SMILESCC(C)NC(=O)/C(F)=C\C1CCCN1C
InChIInChI=1S/C11H19FN2O/c1-8(2)13-11(15)10(12)7-9-5-4-6-14(9)3/h7-9H,4-6H2,1-3H3,(H,13,15)/b10-7+
InChIKeyAOHIUTUTAHBAHN-JXMROGBWSA-N
MW214.28 g/mol
LogP1.46
Rot. Bonds3

About (E)-2-fluoro-3-(1-methylpyrrolidin-2-yl)-N-propan-2-ylprop-2-enamide

(E)-2-fluoro-3-(1-methylpyrrolidin-2-yl)-N-propan-2-ylprop-2-enamide (PubChem CID 146980932) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is (E)-2-fluoro-3-(1-methylpyrrolidin-2-yl)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-fluoro-3-(1-methylpyrrolidin-2-yl)-N-propan-2-ylprop-2-enamide
PubChem CID146980932
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC Name(E)-2-fluoro-3-(1-methylpyrrolidin-2-yl)-N-propan-2-ylprop-2-enamide
SMILESCC(C)NC(=O)/C(F)=C\C1CCCN1C
InChIInChI=1S/C11H19FN2O/c1-8(2)13-11(15)10(12)7-9-5-4-6-14(9)3/h7-9H,4-6H2,1-3H3,(H,13,15)/b10-7+
InChIKeyAOHIUTUTAHBAHN-JXMROGBWSA-N
XLogP1.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2-fluoro-3-(1-methylpyrrolidin-2-yl)-N-propan-2-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-3-(1-methylpyrrolidin-2-yl)-N-propan-2-ylprop-2-enamide?
The IUPAC name of (E)-2-fluoro-3-(1-methylpyrrolidin-2-yl)-N-propan-2-ylprop-2-enamide (CID 146980932) is (E)-2-fluoro-3-(1-methylpyrrolidin-2-yl)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-fluoro-3-(1-methylpyrrolidin-2-yl)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-fluoro-3-(1-methylpyrrolidin-2-yl)-N-propan-2-ylprop-2-enamide is CC(C)NC(=O)/C(F)=C\C1CCCN1C.
What is the InChIKey of (E)-2-fluoro-3-(1-methylpyrrolidin-2-yl)-N-propan-2-ylprop-2-enamide?
The InChIKey is AOHIUTUTAHBAHN-JXMROGBWSA-N. The full InChI is InChI=1S/C11H19FN2O/c1-8(2)13-11(15)10(12)7-9-5-4-6-14(9)3/h7-9H,4-6H2,1-3H3,(H,13,15)/b10-7+.
What are the key properties of (E)-2-fluoro-3-(1-methylpyrrolidin-2-yl)-N-propan-2-ylprop-2-enamide?
(E)-2-fluoro-3-(1-methylpyrrolidin-2-yl)-N-propan-2-ylprop-2-enamide has a molecular weight of 214.28 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-3-(1-methylpyrrolidin-2-yl)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 146980932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).