2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-methylprop-2-enamide

C9H14F2N2O — CID 177013656

IUPAC2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-methylprop-2-enamide
SMILESC=C(CN1CCC(F)(F)C1)C(=O)NC
InChIInChI=1S/C9H14F2N2O/c1-7(8(14)12-2)5-13-4-3-9(10,11)6-13/h1,3-6H2,2H3,(H,12,14)
InChIKeySNUBPXAVQKRANM-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.63
Rot. Bonds3

About 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-methylprop-2-enamide

2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-methylprop-2-enamide (PubChem CID 177013656) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-methylprop-2-enamide
PubChem CID177013656
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-methylprop-2-enamide
SMILESC=C(CN1CCC(F)(F)C1)C(=O)NC
InChIInChI=1S/C9H14F2N2O/c1-7(8(14)12-2)5-13-4-3-9(10,11)6-13/h1,3-6H2,2H3,(H,12,14)
InChIKeySNUBPXAVQKRANM-UHFFFAOYSA-N
XLogP0.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-methylprop-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

Related Compounds

N-methyl-2-[[3-(trifluoromethyl)azetidin-1-yl]methyl]prop-2-enamide
CID 172623392
2-[(3,3-difluoroazetidin-1-yl)methyl]-N-methylprop-2-enamide
CID 172623955
N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enamide
CID 172624010
2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-(2,2-dimethylpropyl)prop-2-enamide
CID 176757604
N-tert-butyl-2-[(3,3-difluoropyrrolidin-1-yl)methyl]prop-2-enamide
CID 176757707
2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-(2-methylpropyl)prop-2-enamide
CID 176758003
(E)-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-propan-2-ylbut-2-enamide
CID 176758049
2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-(2,2-dimethylpropyl)prop-2-enamide;molecular hydrogen
CID 177013167
2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-methylprop-2-enamide;ethane
CID 177013655
2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-ethylprop-2-enamide;ethane
CID 177014372
(E)-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-ethylbut-2-enamide
CID 177014715
N-[2-fluoro-2-(2,3,4,5-tetrafluoropyrrolidin-1-yl)propyl]-2-methylprop-2-enamide
CID 102304835

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-methylprop-2-enamide?
The IUPAC name of 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-methylprop-2-enamide (CID 177013656) is 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-methylprop-2-enamide.
What is the SMILES notation for 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-methylprop-2-enamide?
The canonical SMILES for 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-methylprop-2-enamide is C=C(CN1CCC(F)(F)C1)C(=O)NC.
What is the InChIKey of 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-methylprop-2-enamide?
The InChIKey is SNUBPXAVQKRANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c1-7(8(14)12-2)5-13-4-3-9(10,11)6-13/h1,3-6H2,2H3,(H,12,14).
What are the key properties of 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-methylprop-2-enamide?
2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-methylprop-2-enamide has a molecular weight of 204.22 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-methylprop-2-enamide is sourced from PubChem (CID 177013656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).