2-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-enamide

C9H15FN2O — CID 163479655

IUPAC2-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-enamide
SMILESC=C(F)C(=O)NCC1CCCN1C
InChIInChI=1S/C9H15FN2O/c1-7(10)9(13)11-6-8-4-3-5-12(8)2/h8H,1,3-6H2,2H3,(H,11,13)
InChIKeyCDKXHFLJZOBYAC-UHFFFAOYSA-N
MW186.23 g/mol
LogP0.68
Rot. Bonds3

About 2-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-enamide

2-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-enamide (PubChem CID 163479655) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 2-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name2-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-enamide
PubChem CID163479655
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name2-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-enamide
SMILESC=C(F)C(=O)NCC1CCCN1C
InChIInChI=1S/C9H15FN2O/c1-7(10)9(13)11-6-8-4-3-5-12(8)2/h8H,1,3-6H2,2H3,(H,11,13)
InChIKeyCDKXHFLJZOBYAC-UHFFFAOYSA-N
XLogP0.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-[(1-methylpyrrolidin-2-yl)methyl]prop-2-enamide?
The IUPAC name of 2-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-enamide (CID 163479655) is 2-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for 2-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-enamide?
The canonical SMILES for 2-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-enamide is C=C(F)C(=O)NCC1CCCN1C.
What is the InChIKey of 2-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-enamide?
The InChIKey is CDKXHFLJZOBYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-7(10)9(13)11-6-8-4-3-5-12(8)2/h8H,1,3-6H2,2H3,(H,11,13).
What are the key properties of 2-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-enamide?
2-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-enamide has a molecular weight of 186.23 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 163479655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).