(2S,3aS)-2-phenyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one

C20H19NO2 — CID 53381214

IUPAC(2S,3aS)-2-phenyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one
SMILESC[C@@H](c1ccccc1)N1C(=O)C=C2O[C@H](c3ccccc3)C[C@@H]21
InChIInChI=1S/C20H19NO2/c1-14(15-8-4-2-5-9-15)21-17-12-18(16-10-6-3-7-11-16)23-19(17)13-20(21)22/h2-11,13-14,17-18H,12H2,1H3/t14-,17-,18-/m0/s1
InChIKeyKQGTXSDDIUCHAY-WBAXXEDZSA-N
MW305.38 g/mol
LogP4.00
Rot. Bonds3

About (2S,3aS)-2-phenyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one

(2S,3aS)-2-phenyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one (PubChem CID 53381214) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2S,3aS)-2-phenyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one.

Molecular Properties

Compound Name(2S,3aS)-2-phenyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one
PubChem CID53381214
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name(2S,3aS)-2-phenyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one
SMILESC[C@@H](c1ccccc1)N1C(=O)C=C2O[C@H](c3ccccc3)C[C@@H]21
InChIInChI=1S/C20H19NO2/c1-14(15-8-4-2-5-9-15)21-17-12-18(16-10-6-3-7-11-16)23-19(17)13-20(21)22/h2-11,13-14,17-18H,12H2,1H3/t14-,17-,18-/m0/s1
InChIKeyKQGTXSDDIUCHAY-WBAXXEDZSA-N
XLogP4.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S,3aS)-2-phenyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one?
The IUPAC name of (2S,3aS)-2-phenyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one (CID 53381214) is (2S,3aS)-2-phenyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one.
What is the SMILES notation for (2S,3aS)-2-phenyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one?
The canonical SMILES for (2S,3aS)-2-phenyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one is C[C@@H](c1ccccc1)N1C(=O)C=C2O[C@H](c3ccccc3)C[C@@H]21.
What is the InChIKey of (2S,3aS)-2-phenyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one?
The InChIKey is KQGTXSDDIUCHAY-WBAXXEDZSA-N. The full InChI is InChI=1S/C20H19NO2/c1-14(15-8-4-2-5-9-15)21-17-12-18(16-10-6-3-7-11-16)23-19(17)13-20(21)22/h2-11,13-14,17-18H,12H2,1H3/t14-,17-,18-/m0/s1.
What are the key properties of (2S,3aS)-2-phenyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one?
(2S,3aS)-2-phenyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one has a molecular weight of 305.38 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS)-2-phenyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one is sourced from PubChem (CID 53381214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).