(3aS,9bR)-4-benzyl-3a,9b-dihydro-3H-furo[3,4-c]isoquinoline-1,5-dione

C18H15NO3 — CID 71551971

IUPAC(3aS,9bR)-4-benzyl-3a,9b-dihydro-3H-furo[3,4-c]isoquinoline-1,5-dione
SMILESO=C1OC[C@@H]2[C@H]1c1ccccc1C(=O)N2Cc1ccccc1
InChIInChI=1S/C18H15NO3/c20-17-14-9-5-4-8-13(14)16-15(11-22-18(16)21)19(17)10-12-6-2-1-3-7-12/h1-9,15-16H,10-11H2/t15-,16-/m1/s1
InChIKeyFZEVEARYQAWZIR-HZPDHXFCSA-N
MW293.32 g/mol
LogP2.35
Rot. Bonds2

About (3aS,9bR)-4-benzyl-3a,9b-dihydro-3H-furo[3,4-c]isoquinoline-1,5-dione

(3aS,9bR)-4-benzyl-3a,9b-dihydro-3H-furo[3,4-c]isoquinoline-1,5-dione (PubChem CID 71551971) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is (3aS,9bR)-4-benzyl-3a,9b-dihydro-3H-furo[3,4-c]isoquinoline-1,5-dione.

Molecular Properties

Compound Name(3aS,9bR)-4-benzyl-3a,9b-dihydro-3H-furo[3,4-c]isoquinoline-1,5-dione
PubChem CID71551971
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name(3aS,9bR)-4-benzyl-3a,9b-dihydro-3H-furo[3,4-c]isoquinoline-1,5-dione
SMILESO=C1OC[C@@H]2[C@H]1c1ccccc1C(=O)N2Cc1ccccc1
InChIInChI=1S/C18H15NO3/c20-17-14-9-5-4-8-13(14)16-15(11-22-18(16)21)19(17)10-12-6-2-1-3-7-12/h1-9,15-16H,10-11H2/t15-,16-/m1/s1
InChIKeyFZEVEARYQAWZIR-HZPDHXFCSA-N
XLogP2.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aS,9bR)-4-benzyl-3a,9b-dihydro-3H-furo[3,4-c]isoquinoline-1,5-dione with MolForge

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Launch Full Analysis

Related Compounds

3-(3-Fluorophenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
CID 3241583
3-(2,4-Dimethylphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 4179670
3-(4-Ethylphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 4179676
ethyl (6aR,11aS)-6-benzyl-9-methyl-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate
CID 44142205
ethyl (6aR,11aS)-6-benzyl-2,3-difluoro-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate
CID 53301231
ethyl (6aR,11aS)-6,9-dimethyl-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate
CID 53301259
ethyl (6aR,11aS)-5-oxo-6-propan-2-yl-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate
CID 53301261
ethyl (6aR,11aS)-9-methyl-5-oxo-6-propan-2-yl-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate
CID 53301262
ethyl (6aR,11aS)-6-cyclohexyl-9-methyl-5-oxidanylidene-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate
CID 53301264
ethyl (6aR,11aS)-6-cyclohexyl-8-methyl-5-oxidanylidene-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate
CID 53301265
ethyl (6aR,11aS)-6-(3-methoxy-3-oxopropyl)-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate
CID 53301267
ethyl (6aR,11aS)-6-(3-methoxy-3-oxopropyl)-9-methyl-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate
CID 53301268

Frequently Asked Questions

What is the IUPAC name of (3aS,9bR)-4-benzyl-3a,9b-dihydro-3H-furo[3,4-c]isoquinoline-1,5-dione?
The IUPAC name of (3aS,9bR)-4-benzyl-3a,9b-dihydro-3H-furo[3,4-c]isoquinoline-1,5-dione (CID 71551971) is (3aS,9bR)-4-benzyl-3a,9b-dihydro-3H-furo[3,4-c]isoquinoline-1,5-dione.
What is the SMILES notation for (3aS,9bR)-4-benzyl-3a,9b-dihydro-3H-furo[3,4-c]isoquinoline-1,5-dione?
The canonical SMILES for (3aS,9bR)-4-benzyl-3a,9b-dihydro-3H-furo[3,4-c]isoquinoline-1,5-dione is O=C1OC[C@@H]2[C@H]1c1ccccc1C(=O)N2Cc1ccccc1.
What is the InChIKey of (3aS,9bR)-4-benzyl-3a,9b-dihydro-3H-furo[3,4-c]isoquinoline-1,5-dione?
The InChIKey is FZEVEARYQAWZIR-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H15NO3/c20-17-14-9-5-4-8-13(14)16-15(11-22-18(16)21)19(17)10-12-6-2-1-3-7-12/h1-9,15-16H,10-11H2/t15-,16-/m1/s1.
What are the key properties of (3aS,9bR)-4-benzyl-3a,9b-dihydro-3H-furo[3,4-c]isoquinoline-1,5-dione?
(3aS,9bR)-4-benzyl-3a,9b-dihydro-3H-furo[3,4-c]isoquinoline-1,5-dione has a molecular weight of 293.32 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,9bR)-4-benzyl-3a,9b-dihydro-3H-furo[3,4-c]isoquinoline-1,5-dione is sourced from PubChem (CID 71551971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).