(4R)-6-benzyl-3-methyl-4-phenyl-4,5-dihydropyrano[2,3-c]pyrrol-7-one

C21H19NO2 — CID 132576824

IUPAC(4R)-6-benzyl-3-methyl-4-phenyl-4,5-dihydropyrano[2,3-c]pyrrol-7-one
SMILESCC1=COC2=C(CN(Cc3ccccc3)C2=O)[C@@H]1c1ccccc1
InChIInChI=1S/C21H19NO2/c1-15-14-24-20-18(19(15)17-10-6-3-7-11-17)13-22(21(20)23)12-16-8-4-2-5-9-16/h2-11,14,19H,12-13H2,1H3/t19-/m0/s1
InChIKeyZBZGOPHEEMJXTC-IBGZPJMESA-N
MW317.39 g/mol
LogP4.00
Rot. Bonds3

About (4R)-6-benzyl-3-methyl-4-phenyl-4,5-dihydropyrano[2,3-c]pyrrol-7-one

(4R)-6-benzyl-3-methyl-4-phenyl-4,5-dihydropyrano[2,3-c]pyrrol-7-one (PubChem CID 132576824) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (4R)-6-benzyl-3-methyl-4-phenyl-4,5-dihydropyrano[2,3-c]pyrrol-7-one.

Molecular Properties

Compound Name(4R)-6-benzyl-3-methyl-4-phenyl-4,5-dihydropyrano[2,3-c]pyrrol-7-one
PubChem CID132576824
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name(4R)-6-benzyl-3-methyl-4-phenyl-4,5-dihydropyrano[2,3-c]pyrrol-7-one
SMILESCC1=COC2=C(CN(Cc3ccccc3)C2=O)[C@@H]1c1ccccc1
InChIInChI=1S/C21H19NO2/c1-15-14-24-20-18(19(15)17-10-6-3-7-11-17)13-22(21(20)23)12-16-8-4-2-5-9-16/h2-11,14,19H,12-13H2,1H3/t19-/m0/s1
InChIKeyZBZGOPHEEMJXTC-IBGZPJMESA-N
XLogP4.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R,4S)-6-benzyl-4-(3-chlorophenyl)-2-hydroxy-3-methyl-2,3,4,5-tetrahydropyrano[2,3-c]pyrrol-7-one
CID 132576825
1-benzyl-4-ethyl-3-methyl-2H-pyrrol-5-one
CID 155936663
(2R,3R,4R)-3,6-dibenzyl-3-bromo-2-hydroxy-4-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrrol-7-one
CID 134961039
(2R,3S,4S,5R)-3,7-dibenzyl-2-hydroxy-4-methyl-5-(4-methylphenyl)-3,4,5,6-tetrahydro-2H-oxepino[2,3-c]pyrrol-8-one
CID 163677831
1-benzyl-3,4-dichloro-2H-pyrrol-5-one
CID 22345347
1-benzyl-3,3-dimethyl-4-methylidenepyrrolidin-2-one
CID 11806087
1-benzyl-3-methyl-4-(1-phenylethenyl)-2H-pyrrol-5-one
CID 135000161
1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one
CID 59057333
(5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde
CID 10954695
1-benzyl-3-phenylpiperazine-2,5-dione
CID 20794522
(3R,8aR)-7-benzyl-3-phenyl-1,3,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione
CID 101131885
2-benzyl-5-chloro-7-methyl-3H-isoindol-1-one;ethane
CID 90733514

Frequently Asked Questions

What is the IUPAC name of (4R)-6-benzyl-3-methyl-4-phenyl-4,5-dihydropyrano[2,3-c]pyrrol-7-one?
The IUPAC name of (4R)-6-benzyl-3-methyl-4-phenyl-4,5-dihydropyrano[2,3-c]pyrrol-7-one (CID 132576824) is (4R)-6-benzyl-3-methyl-4-phenyl-4,5-dihydropyrano[2,3-c]pyrrol-7-one.
What is the SMILES notation for (4R)-6-benzyl-3-methyl-4-phenyl-4,5-dihydropyrano[2,3-c]pyrrol-7-one?
The canonical SMILES for (4R)-6-benzyl-3-methyl-4-phenyl-4,5-dihydropyrano[2,3-c]pyrrol-7-one is CC1=COC2=C(CN(Cc3ccccc3)C2=O)[C@@H]1c1ccccc1.
What is the InChIKey of (4R)-6-benzyl-3-methyl-4-phenyl-4,5-dihydropyrano[2,3-c]pyrrol-7-one?
The InChIKey is ZBZGOPHEEMJXTC-IBGZPJMESA-N. The full InChI is InChI=1S/C21H19NO2/c1-15-14-24-20-18(19(15)17-10-6-3-7-11-17)13-22(21(20)23)12-16-8-4-2-5-9-16/h2-11,14,19H,12-13H2,1H3/t19-/m0/s1.
What are the key properties of (4R)-6-benzyl-3-methyl-4-phenyl-4,5-dihydropyrano[2,3-c]pyrrol-7-one?
(4R)-6-benzyl-3-methyl-4-phenyl-4,5-dihydropyrano[2,3-c]pyrrol-7-one has a molecular weight of 317.39 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 (4R)-6-benzyl-3-methyl-4-phenyl-4,5-dihydropyrano[2,3-c]pyrrol-7-one is sourced from PubChem (CID 132576824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).