1-(furan-2-yl)-2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]ethanone

C18H19NO4 — CID 73352134

IUPAC1-(furan-2-yl)-2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]ethanone
SMILESO=C(CC1C[C@@H](O)CN1C(=O)Cc1ccccc1)c1ccco1
InChIInChI=1S/C18H19NO4/c20-15-10-14(11-16(21)17-7-4-8-23-17)19(12-15)18(22)9-13-5-2-1-3-6-13/h1-8,14-15,20H,9-12H2/t14?,15-/m1/s1
InChIKeyMZAVFKCXAKUTRT-YSSOQSIOSA-N
MW313.35 g/mol
LogP2.06
Rot. Bonds5

About 1-(furan-2-yl)-2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]ethanone

1-(furan-2-yl)-2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]ethanone (PubChem CID 73352134) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]ethanone
PubChem CID73352134
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name1-(furan-2-yl)-2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]ethanone
SMILESO=C(CC1C[C@@H](O)CN1C(=O)Cc1ccccc1)c1ccco1
InChIInChI=1S/C18H19NO4/c20-15-10-14(11-16(21)17-7-4-8-23-17)19(12-15)18(22)9-13-5-2-1-3-6-13/h1-8,14-15,20H,9-12H2/t14?,15-/m1/s1
InChIKeyMZAVFKCXAKUTRT-YSSOQSIOSA-N
XLogP2.06
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]ethanone?
The IUPAC name of 1-(furan-2-yl)-2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]ethanone (CID 73352134) is 1-(furan-2-yl)-2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]ethanone is O=C(CC1C[C@@H](O)CN1C(=O)Cc1ccccc1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]ethanone?
The InChIKey is MZAVFKCXAKUTRT-YSSOQSIOSA-N. The full InChI is InChI=1S/C18H19NO4/c20-15-10-14(11-16(21)17-7-4-8-23-17)19(12-15)18(22)9-13-5-2-1-3-6-13/h1-8,14-15,20H,9-12H2/t14?,15-/m1/s1.
What are the key properties of 1-(furan-2-yl)-2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]ethanone?
1-(furan-2-yl)-2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]ethanone has a molecular weight of 313.35 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 73352134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).