N-ethyl-4-fluoro-1-propan-2-ylpyrrolidine-2-carboxamide

C10H19FN2O — CID 91302729

IUPACN-ethyl-4-fluoro-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CC(F)CN1C(C)C
InChIInChI=1S/C10H19FN2O/c1-4-12-10(14)9-5-8(11)6-13(9)7(2)3/h7-9H,4-6H2,1-3H3,(H,12,14)
InChIKeyOESMNOZEHQMRIA-UHFFFAOYSA-N
MW202.27 g/mol
LogP0.94
Rot. Bonds3

About N-ethyl-4-fluoro-1-propan-2-ylpyrrolidine-2-carboxamide

N-ethyl-4-fluoro-1-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 91302729) has the molecular formula C10H19FN2O and a molecular weight of 202.27 g/mol. Its IUPAC name is N-ethyl-4-fluoro-1-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-1-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID91302729
Molecular FormulaC10H19FN2O
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC NameN-ethyl-4-fluoro-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CC(F)CN1C(C)C
InChIInChI=1S/C10H19FN2O/c1-4-12-10(14)9-5-8(11)6-13(9)7(2)3/h7-9H,4-6H2,1-3H3,(H,12,14)
InChIKeyOESMNOZEHQMRIA-UHFFFAOYSA-N
XLogP0.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-1-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-ethyl-4-fluoro-1-propan-2-ylpyrrolidine-2-carboxamide (CID 91302729) is N-ethyl-4-fluoro-1-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-fluoro-1-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-ethyl-4-fluoro-1-propan-2-ylpyrrolidine-2-carboxamide is CCNC(=O)C1CC(F)CN1C(C)C.
What is the InChIKey of N-ethyl-4-fluoro-1-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is OESMNOZEHQMRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O/c1-4-12-10(14)9-5-8(11)6-13(9)7(2)3/h7-9H,4-6H2,1-3H3,(H,12,14).
What are the key properties of N-ethyl-4-fluoro-1-propan-2-ylpyrrolidine-2-carboxamide?
N-ethyl-4-fluoro-1-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 202.27 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-1-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 91302729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).