(3R)-3-[3-(4-bromofuran-2-yl)phenyl]-3-hydroxy-1-methylpyrrolidin-2-one

C15H14BrNO3 — CID 163303229

IUPAC(3R)-3-[3-(4-bromofuran-2-yl)phenyl]-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CC[C@@](O)(c2cccc(-c3cc(Br)co3)c2)C1=O
InChIInChI=1S/C15H14BrNO3/c1-17-6-5-15(19,14(17)18)11-4-2-3-10(7-11)13-8-12(16)9-20-13/h2-4,7-9,19H,5-6H2,1H3/t15-/m1/s1
InChIKeyBDSMQWVNERGDKW-OAHLLOKOSA-N
MW336.19 g/mol
LogP2.76
Rot. Bonds2

About (3R)-3-[3-(4-bromofuran-2-yl)phenyl]-3-hydroxy-1-methylpyrrolidin-2-one

(3R)-3-[3-(4-bromofuran-2-yl)phenyl]-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 163303229) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is (3R)-3-[3-(4-bromofuran-2-yl)phenyl]-3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[3-(4-bromofuran-2-yl)phenyl]-3-hydroxy-1-methylpyrrolidin-2-one
PubChem CID163303229
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name(3R)-3-[3-(4-bromofuran-2-yl)phenyl]-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CC[C@@](O)(c2cccc(-c3cc(Br)co3)c2)C1=O
InChIInChI=1S/C15H14BrNO3/c1-17-6-5-15(19,14(17)18)11-4-2-3-10(7-11)13-8-12(16)9-20-13/h2-4,7-9,19H,5-6H2,1H3/t15-/m1/s1
InChIKeyBDSMQWVNERGDKW-OAHLLOKOSA-N
XLogP2.76
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-(4-bromofuran-2-yl)phenyl]-3-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of (3R)-3-[3-(4-bromofuran-2-yl)phenyl]-3-hydroxy-1-methylpyrrolidin-2-one (CID 163303229) is (3R)-3-[3-(4-bromofuran-2-yl)phenyl]-3-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[3-(4-bromofuran-2-yl)phenyl]-3-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-[3-(4-bromofuran-2-yl)phenyl]-3-hydroxy-1-methylpyrrolidin-2-one is CN1CC[C@@](O)(c2cccc(-c3cc(Br)co3)c2)C1=O.
What is the InChIKey of (3R)-3-[3-(4-bromofuran-2-yl)phenyl]-3-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is BDSMQWVNERGDKW-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-17-6-5-15(19,14(17)18)11-4-2-3-10(7-11)13-8-12(16)9-20-13/h2-4,7-9,19H,5-6H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-3-[3-(4-bromofuran-2-yl)phenyl]-3-hydroxy-1-methylpyrrolidin-2-one?
(3R)-3-[3-(4-bromofuran-2-yl)phenyl]-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 336.19 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-(4-bromofuran-2-yl)phenyl]-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 163303229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).