3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide

C9H16FN3O — CID 130637858

IUPAC3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
SMILESO=C(NC1CCNC1)C1(F)CCNC1
InChIInChI=1S/C9H16FN3O/c10-9(2-4-12-6-9)8(14)13-7-1-3-11-5-7/h7,11-12H,1-6H2,(H,13,14)
InChIKeyRQJYQFOXSXKDHI-UHFFFAOYSA-N
MW201.24 g/mol
LogP-0.83
Rot. Bonds2

About 3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide

3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide (PubChem CID 130637858) has the molecular formula C9H16FN3O and a molecular weight of 201.24 g/mol. Its IUPAC name is 3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
PubChem CID130637858
Molecular FormulaC9H16FN3O
Molecular Weight201.24 g/mol
Exact Mass201.13
IUPAC Name3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
SMILESO=C(NC1CCNC1)C1(F)CCNC1
InChIInChI=1S/C9H16FN3O/c10-9(2-4-12-6-9)8(14)13-7-1-3-11-5-7/h7,11-12H,1-6H2,(H,13,14)
InChIKeyRQJYQFOXSXKDHI-UHFFFAOYSA-N
XLogP-0.83
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of 3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide (CID 130637858) is 3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide is O=C(NC1CCNC1)C1(F)CCNC1.
What is the InChIKey of 3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is RQJYQFOXSXKDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN3O/c10-9(2-4-12-6-9)8(14)13-7-1-3-11-5-7/h7,11-12H,1-6H2,(H,13,14).
What are the key properties of 3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 201.24 g/mol, XLogP of -0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 130637858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).