(3aR,7aS)-2-dibenzofuran-3-yl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

C20H17NO3 — CID 27904582

IUPAC(3aR,7aS)-2-dibenzofuran-3-yl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESO=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C20H17NO3/c22-19-15-6-1-2-7-16(15)20(23)21(19)12-9-10-14-13-5-3-4-8-17(13)24-18(14)11-12/h3-5,8-11,15-16H,1-2,6-7H2/t15-,16+
InChIKeyNGNHDKYUZUOJMK-IYBDPMFKSA-N
MW319.36 g/mol
LogP4.27
Rot. Bonds1

About (3aR,7aS)-2-dibenzofuran-3-yl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

(3aR,7aS)-2-dibenzofuran-3-yl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (PubChem CID 27904582) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is (3aR,7aS)-2-dibenzofuran-3-yl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.

Molecular Properties

Compound Name(3aR,7aS)-2-dibenzofuran-3-yl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
PubChem CID27904582
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name(3aR,7aS)-2-dibenzofuran-3-yl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESO=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C20H17NO3/c22-19-15-6-1-2-7-16(15)20(23)21(19)12-9-10-14-13-5-3-4-8-17(13)24-18(14)11-12/h3-5,8-11,15-16H,1-2,6-7H2/t15-,16+
InChIKeyNGNHDKYUZUOJMK-IYBDPMFKSA-N
XLogP4.27
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3aR,7aS)-2-dibenzofuran-3-yl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R,6S,7R)-4-dibenzofuran-3-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 40742050
2-(3,4-dimethylphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2732797
(5S)-3-dibenzofuran-3-yl-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione
CID 167870530
(3S)-1-dibenzofuran-3-yl-5-oxopyrrolidine-3-carboxylic acid
CID 94077339
(15R,19R)-17-[4-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 51463995
17-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 5192921
2-dibenzofuran-3-yl-12-phenyl-10,14-dioxa-2-aza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene
CID 140795755
(3aR,7aR)-2-(4-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7035661
cyclopropyl(dibenzofuran-3-yl)methanol
CID 114238745
(3aR,7aS)-2-(3-nitrophenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2245221
2-dibenzofuran-3-yl-4-nitroisoindole-1,3-dione
CID 2317120
N-dibenzofuran-3-ylcyclohexanecarboxamide
CID 2833464

Frequently Asked Questions

What is the IUPAC name of (3aR,7aS)-2-dibenzofuran-3-yl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The IUPAC name of (3aR,7aS)-2-dibenzofuran-3-yl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (CID 27904582) is (3aR,7aS)-2-dibenzofuran-3-yl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
What is the SMILES notation for (3aR,7aS)-2-dibenzofuran-3-yl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The canonical SMILES for (3aR,7aS)-2-dibenzofuran-3-yl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of (3aR,7aS)-2-dibenzofuran-3-yl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The InChIKey is NGNHDKYUZUOJMK-IYBDPMFKSA-N. The full InChI is InChI=1S/C20H17NO3/c22-19-15-6-1-2-7-16(15)20(23)21(19)12-9-10-14-13-5-3-4-8-17(13)24-18(14)11-12/h3-5,8-11,15-16H,1-2,6-7H2/t15-,16+.
What are the key properties of (3aR,7aS)-2-dibenzofuran-3-yl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
(3aR,7aS)-2-dibenzofuran-3-yl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione has a molecular weight of 319.36 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aS)-2-dibenzofuran-3-yl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is sourced from PubChem (CID 27904582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).