3-fluoro-1-methyl-4-[4-(3-propan-2-ylpyrrolidin-1-yl)pent-4-en-2-yl]pyrrolidine

C17H31FN2 — CID 174352269

IUPAC3-fluoro-1-methyl-4-[4-(3-propan-2-ylpyrrolidin-1-yl)pent-4-en-2-yl]pyrrolidine
SMILESC=C(CC(C)C1CN(C)CC1F)N1CCC(C(C)C)C1
InChIInChI=1S/C17H31FN2/c1-12(2)15-6-7-20(9-15)14(4)8-13(3)16-10-19(5)11-17(16)18/h12-13,15-17H,4,6-11H2,1-3,5H3
InChIKeyDVZOHNZSLLZPGS-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.40
Rot. Bonds5

About 3-fluoro-1-methyl-4-[4-(3-propan-2-ylpyrrolidin-1-yl)pent-4-en-2-yl]pyrrolidine

3-fluoro-1-methyl-4-[4-(3-propan-2-ylpyrrolidin-1-yl)pent-4-en-2-yl]pyrrolidine (PubChem CID 174352269) has the molecular formula C17H31FN2 and a molecular weight of 282.45 g/mol. Its IUPAC name is 3-fluoro-1-methyl-4-[4-(3-propan-2-ylpyrrolidin-1-yl)pent-4-en-2-yl]pyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-methyl-4-[4-(3-propan-2-ylpyrrolidin-1-yl)pent-4-en-2-yl]pyrrolidine
PubChem CID174352269
Molecular FormulaC17H31FN2
Molecular Weight282.45 g/mol
Exact Mass282.25
IUPAC Name3-fluoro-1-methyl-4-[4-(3-propan-2-ylpyrrolidin-1-yl)pent-4-en-2-yl]pyrrolidine
SMILESC=C(CC(C)C1CN(C)CC1F)N1CCC(C(C)C)C1
InChIInChI=1S/C17H31FN2/c1-12(2)15-6-7-20(9-15)14(4)8-13(3)16-10-19(5)11-17(16)18/h12-13,15-17H,4,6-11H2,1-3,5H3
InChIKeyDVZOHNZSLLZPGS-UHFFFAOYSA-N
XLogP3.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-4-[4-(3-propan-2-ylpyrrolidin-1-yl)pent-4-en-2-yl]pyrrolidine?
The IUPAC name of 3-fluoro-1-methyl-4-[4-(3-propan-2-ylpyrrolidin-1-yl)pent-4-en-2-yl]pyrrolidine (CID 174352269) is 3-fluoro-1-methyl-4-[4-(3-propan-2-ylpyrrolidin-1-yl)pent-4-en-2-yl]pyrrolidine.
What is the SMILES notation for 3-fluoro-1-methyl-4-[4-(3-propan-2-ylpyrrolidin-1-yl)pent-4-en-2-yl]pyrrolidine?
The canonical SMILES for 3-fluoro-1-methyl-4-[4-(3-propan-2-ylpyrrolidin-1-yl)pent-4-en-2-yl]pyrrolidine is C=C(CC(C)C1CN(C)CC1F)N1CCC(C(C)C)C1.
What is the InChIKey of 3-fluoro-1-methyl-4-[4-(3-propan-2-ylpyrrolidin-1-yl)pent-4-en-2-yl]pyrrolidine?
The InChIKey is DVZOHNZSLLZPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31FN2/c1-12(2)15-6-7-20(9-15)14(4)8-13(3)16-10-19(5)11-17(16)18/h12-13,15-17H,4,6-11H2,1-3,5H3.
What are the key properties of 3-fluoro-1-methyl-4-[4-(3-propan-2-ylpyrrolidin-1-yl)pent-4-en-2-yl]pyrrolidine?
3-fluoro-1-methyl-4-[4-(3-propan-2-ylpyrrolidin-1-yl)pent-4-en-2-yl]pyrrolidine has a molecular weight of 282.45 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-4-[4-(3-propan-2-ylpyrrolidin-1-yl)pent-4-en-2-yl]pyrrolidine is sourced from PubChem (CID 174352269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).