[(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

C15H21FN2O3 — CID 120949392

IUPAC[(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)o1
InChIInChI=1S/C15H21FN2O3/c1-11-2-3-13(21-11)10-18-9-12(16)8-14(18)15(19)17-4-6-20-7-5-17/h2-3,12,14H,4-10H2,1H3/t12-,14+/m1/s1
InChIKeyBDGGRBUZVBVELC-OCCSQVGLSA-N
MW296.34 g/mol
LogP1.36
Rot. Bonds3

About [(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 120949392) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is [(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID120949392
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name[(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)o1
InChIInChI=1S/C15H21FN2O3/c1-11-2-3-13(21-11)10-18-9-12(16)8-14(18)15(19)17-4-6-20-7-5-17/h2-3,12,14H,4-10H2,1H3/t12-,14+/m1/s1
InChIKeyBDGGRBUZVBVELC-OCCSQVGLSA-N
XLogP1.36
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 120949392) is [(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is Cc1ccc(CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)o1.
What is the InChIKey of [(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is BDGGRBUZVBVELC-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-11-2-3-13(21-11)10-18-9-12(16)8-14(18)15(19)17-4-6-20-7-5-17/h2-3,12,14H,4-10H2,1H3/t12-,14+/m1/s1.
What are the key properties of [(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 296.34 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 120949392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).