4-fluoro-N-methyl-1-propylpyrrolidine-2-carboxamide

C9H17FN2O — CID 91261843

IUPAC4-fluoro-N-methyl-1-propylpyrrolidine-2-carboxamide
SMILESCCCN1CC(F)CC1C(=O)NC
InChIInChI=1S/C9H17FN2O/c1-3-4-12-6-7(10)5-8(12)9(13)11-2/h7-8H,3-6H2,1-2H3,(H,11,13)
InChIKeyYUFZSMODEGHHNI-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.55
Rot. Bonds3

About 4-fluoro-N-methyl-1-propylpyrrolidine-2-carboxamide

4-fluoro-N-methyl-1-propylpyrrolidine-2-carboxamide (PubChem CID 91261843) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 4-fluoro-N-methyl-1-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-1-propylpyrrolidine-2-carboxamide
PubChem CID91261843
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name4-fluoro-N-methyl-1-propylpyrrolidine-2-carboxamide
SMILESCCCN1CC(F)CC1C(=O)NC
InChIInChI=1S/C9H17FN2O/c1-3-4-12-6-7(10)5-8(12)9(13)11-2/h7-8H,3-6H2,1-2H3,(H,11,13)
InChIKeyYUFZSMODEGHHNI-UHFFFAOYSA-N
XLogP0.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-1-propylpyrrolidine-2-carboxamide?
The IUPAC name of 4-fluoro-N-methyl-1-propylpyrrolidine-2-carboxamide (CID 91261843) is 4-fluoro-N-methyl-1-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-methyl-1-propylpyrrolidine-2-carboxamide?
The canonical SMILES for 4-fluoro-N-methyl-1-propylpyrrolidine-2-carboxamide is CCCN1CC(F)CC1C(=O)NC.
What is the InChIKey of 4-fluoro-N-methyl-1-propylpyrrolidine-2-carboxamide?
The InChIKey is YUFZSMODEGHHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-3-4-12-6-7(10)5-8(12)9(13)11-2/h7-8H,3-6H2,1-2H3,(H,11,13).
What are the key properties of 4-fluoro-N-methyl-1-propylpyrrolidine-2-carboxamide?
4-fluoro-N-methyl-1-propylpyrrolidine-2-carboxamide has a molecular weight of 188.25 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-1-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 91261843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).