(E)-2-fluoro-3-[(2R)-1-methylpyrrolidin-2-yl]-N-propylprop-2-enamide

C11H19FN2O — CID 163660129

IUPAC(E)-2-fluoro-3-[(2R)-1-methylpyrrolidin-2-yl]-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(F)=C\[C@H]1CCCN1C
InChIInChI=1S/C11H19FN2O/c1-3-6-13-11(15)10(12)8-9-5-4-7-14(9)2/h8-9H,3-7H2,1-2H3,(H,13,15)/b10-8+/t9-/m1/s1
InChIKeyITRLKRYQPMZKKS-NCXKZPMSSA-N
MW214.28 g/mol
LogP1.46
Rot. Bonds4

About (E)-2-fluoro-3-[(2R)-1-methylpyrrolidin-2-yl]-N-propylprop-2-enamide

(E)-2-fluoro-3-[(2R)-1-methylpyrrolidin-2-yl]-N-propylprop-2-enamide (PubChem CID 163660129) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is (E)-2-fluoro-3-[(2R)-1-methylpyrrolidin-2-yl]-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-fluoro-3-[(2R)-1-methylpyrrolidin-2-yl]-N-propylprop-2-enamide
PubChem CID163660129
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC Name(E)-2-fluoro-3-[(2R)-1-methylpyrrolidin-2-yl]-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(F)=C\[C@H]1CCCN1C
InChIInChI=1S/C11H19FN2O/c1-3-6-13-11(15)10(12)8-9-5-4-7-14(9)2/h8-9H,3-7H2,1-2H3,(H,13,15)/b10-8+/t9-/m1/s1
InChIKeyITRLKRYQPMZKKS-NCXKZPMSSA-N
XLogP1.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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'}

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Related Compounds

2-fluoro-N-(3-formamidocyclopentyl)hept-2-enamide
CID 123469268
2-fluoro-N-[3-(2-fluoropent-2-enoylamino)cyclopentyl]hex-2-enamide
CID 123566362
2-fluoro-N-[2-(2-fluorohex-2-enoylamino)cyclopentyl]hex-2-enamide
CID 123759140
(E)-2-fluoro-3-[(2S)-1-methylpyrrolidin-2-yl]prop-2-enamide
CID 137535250
(E)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enamide
CID 137535251
(Z)-2-fluoro-3-[(2S)-1-methylpyrrolidin-2-yl]prop-2-enamide
CID 137535252
(Z)-2-fluoro-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide
CID 137535263
(E)-2-fluoro-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide
CID 137535345
(E)-2-fluoro-3-[(2S)-1-methylpyrrolidin-2-yl]-N-propylprop-2-enamide
CID 137535346
(E)-N-[(1S,2R)-2-aminocyclopentyl]-2-fluorohept-2-enamide
CID 144516889
(E)-2-fluoro-3-(1-methylpyrrolidin-2-yl)-N-propan-2-ylprop-2-enamide
CID 146980932
(Z)-2-fluoro-3-[(2R)-1-methylpyrrolidin-2-yl]-N-propan-2-ylprop-2-enamide
CID 146980933

Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-3-[(2R)-1-methylpyrrolidin-2-yl]-N-propylprop-2-enamide?
The IUPAC name of (E)-2-fluoro-3-[(2R)-1-methylpyrrolidin-2-yl]-N-propylprop-2-enamide (CID 163660129) is (E)-2-fluoro-3-[(2R)-1-methylpyrrolidin-2-yl]-N-propylprop-2-enamide.
What is the SMILES notation for (E)-2-fluoro-3-[(2R)-1-methylpyrrolidin-2-yl]-N-propylprop-2-enamide?
The canonical SMILES for (E)-2-fluoro-3-[(2R)-1-methylpyrrolidin-2-yl]-N-propylprop-2-enamide is CCCNC(=O)/C(F)=C\[C@H]1CCCN1C.
What is the InChIKey of (E)-2-fluoro-3-[(2R)-1-methylpyrrolidin-2-yl]-N-propylprop-2-enamide?
The InChIKey is ITRLKRYQPMZKKS-NCXKZPMSSA-N. The full InChI is InChI=1S/C11H19FN2O/c1-3-6-13-11(15)10(12)8-9-5-4-7-14(9)2/h8-9H,3-7H2,1-2H3,(H,13,15)/b10-8+/t9-/m1/s1.
What are the key properties of (E)-2-fluoro-3-[(2R)-1-methylpyrrolidin-2-yl]-N-propylprop-2-enamide?
(E)-2-fluoro-3-[(2R)-1-methylpyrrolidin-2-yl]-N-propylprop-2-enamide has a molecular weight of 214.28 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-3-[(2R)-1-methylpyrrolidin-2-yl]-N-propylprop-2-enamide is sourced from PubChem (CID 163660129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).