3-fluoro-N-methyl-1-prop-2-enoylpyrrolidine-3-carboxamide

C9H13FN2O2 — CID 167529378

IUPAC3-fluoro-N-methyl-1-prop-2-enoylpyrrolidine-3-carboxamide
SMILESC=CC(=O)N1CCC(F)(C(=O)NC)C1
InChIInChI=1S/C9H13FN2O2/c1-3-7(13)12-5-4-9(10,6-12)8(14)11-2/h3H,1,4-6H2,2H3,(H,11,14)
InChIKeyWKOUBLZCQYLZEY-UHFFFAOYSA-N
MW200.21 g/mol
LogP-0.14
Rot. Bonds2

About 3-fluoro-N-methyl-1-prop-2-enoylpyrrolidine-3-carboxamide

3-fluoro-N-methyl-1-prop-2-enoylpyrrolidine-3-carboxamide (PubChem CID 167529378) has the molecular formula C9H13FN2O2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 3-fluoro-N-methyl-1-prop-2-enoylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-1-prop-2-enoylpyrrolidine-3-carboxamide
PubChem CID167529378
Molecular FormulaC9H13FN2O2
Molecular Weight200.21 g/mol
Exact Mass200.10
IUPAC Name3-fluoro-N-methyl-1-prop-2-enoylpyrrolidine-3-carboxamide
SMILESC=CC(=O)N1CCC(F)(C(=O)NC)C1
InChIInChI=1S/C9H13FN2O2/c1-3-7(13)12-5-4-9(10,6-12)8(14)11-2/h3H,1,4-6H2,2H3,(H,11,14)
InChIKeyWKOUBLZCQYLZEY-UHFFFAOYSA-N
XLogP-0.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 5-0.14
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 3-fluoro-N-methyl-1-prop-2-enoylpyrrolidine-3-carboxamide?
The IUPAC name of 3-fluoro-N-methyl-1-prop-2-enoylpyrrolidine-3-carboxamide (CID 167529378) is 3-fluoro-N-methyl-1-prop-2-enoylpyrrolidine-3-carboxamide.
What is the SMILES notation for 3-fluoro-N-methyl-1-prop-2-enoylpyrrolidine-3-carboxamide?
The canonical SMILES for 3-fluoro-N-methyl-1-prop-2-enoylpyrrolidine-3-carboxamide is C=CC(=O)N1CCC(F)(C(=O)NC)C1.
What is the InChIKey of 3-fluoro-N-methyl-1-prop-2-enoylpyrrolidine-3-carboxamide?
The InChIKey is WKOUBLZCQYLZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2/c1-3-7(13)12-5-4-9(10,6-12)8(14)11-2/h3H,1,4-6H2,2H3,(H,11,14).
What are the key properties of 3-fluoro-N-methyl-1-prop-2-enoylpyrrolidine-3-carboxamide?
3-fluoro-N-methyl-1-prop-2-enoylpyrrolidine-3-carboxamide has a molecular weight of 200.21 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-1-prop-2-enoylpyrrolidine-3-carboxamide is sourced from PubChem (CID 167529378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).