(2R)-2-hydroxy-2-phenyl-1-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone

C14H16N2O2 — CID 146530020

IUPAC(2R)-2-hydroxy-2-phenyl-1-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone
SMILESO=C([C@H](O)c1ccccc1)N1CC2=C(CNC2)C1
InChIInChI=1S/C14H16N2O2/c17-13(10-4-2-1-3-5-10)14(18)16-8-11-6-15-7-12(11)9-16/h1-5,13,15,17H,6-9H2/t13-/m1/s1
InChIKeyBTGIKBSVYPIDAD-CYBMUJFWSA-N
MW244.29 g/mol
LogP0.46
Rot. Bonds2

About (2R)-2-hydroxy-2-phenyl-1-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone

(2R)-2-hydroxy-2-phenyl-1-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone (PubChem CID 146530020) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-phenyl-1-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-phenyl-1-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone
PubChem CID146530020
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(2R)-2-hydroxy-2-phenyl-1-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone
SMILESO=C([C@H](O)c1ccccc1)N1CC2=C(CNC2)C1
InChIInChI=1S/C14H16N2O2/c17-13(10-4-2-1-3-5-10)14(18)16-8-11-6-15-7-12(11)9-16/h1-5,13,15,17H,6-9H2/t13-/m1/s1
InChIKeyBTGIKBSVYPIDAD-CYBMUJFWSA-N
XLogP0.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-phenyl-1-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone?
The IUPAC name of (2R)-2-hydroxy-2-phenyl-1-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone (CID 146530020) is (2R)-2-hydroxy-2-phenyl-1-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone.
What is the SMILES notation for (2R)-2-hydroxy-2-phenyl-1-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone?
The canonical SMILES for (2R)-2-hydroxy-2-phenyl-1-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone is O=C([C@H](O)c1ccccc1)N1CC2=C(CNC2)C1.
What is the InChIKey of (2R)-2-hydroxy-2-phenyl-1-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone?
The InChIKey is BTGIKBSVYPIDAD-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-13(10-4-2-1-3-5-10)14(18)16-8-11-6-15-7-12(11)9-16/h1-5,13,15,17H,6-9H2/t13-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-phenyl-1-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone?
(2R)-2-hydroxy-2-phenyl-1-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone has a molecular weight of 244.29 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-phenyl-1-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone is sourced from PubChem (CID 146530020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).