2-benzyl-8-methoxy-4,8b-dihydro-3aH-indeno[1,2-c]pyrrole-1,3-dione

C19H17NO3 — CID 15662343

IUPAC2-benzyl-8-methoxy-4,8b-dihydro-3aH-indeno[1,2-c]pyrrole-1,3-dione
SMILESCOc1cccc2c1C1C(=O)N(Cc3ccccc3)C(=O)C1C2
InChIInChI=1S/C19H17NO3/c1-23-15-9-5-8-13-10-14-17(16(13)15)19(22)20(18(14)21)11-12-6-3-2-4-7-12/h2-9,14,17H,10-11H2,1H3
InChIKeyHUTWAWCHUDELEE-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.52
Rot. Bonds3

About 2-benzyl-8-methoxy-4,8b-dihydro-3aH-indeno[1,2-c]pyrrole-1,3-dione

2-benzyl-8-methoxy-4,8b-dihydro-3aH-indeno[1,2-c]pyrrole-1,3-dione (PubChem CID 15662343) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-benzyl-8-methoxy-4,8b-dihydro-3aH-indeno[1,2-c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-benzyl-8-methoxy-4,8b-dihydro-3aH-indeno[1,2-c]pyrrole-1,3-dione
PubChem CID15662343
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name2-benzyl-8-methoxy-4,8b-dihydro-3aH-indeno[1,2-c]pyrrole-1,3-dione
SMILESCOc1cccc2c1C1C(=O)N(Cc3ccccc3)C(=O)C1C2
InChIInChI=1S/C19H17NO3/c1-23-15-9-5-8-13-10-14-17(16(13)15)19(22)20(18(14)21)11-12-6-3-2-4-7-12/h2-9,14,17H,10-11H2,1H3
InChIKeyHUTWAWCHUDELEE-UHFFFAOYSA-N
XLogP2.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-methoxy-4,8b-dihydro-3aH-indeno[1,2-c]pyrrole-1,3-dione?
The IUPAC name of 2-benzyl-8-methoxy-4,8b-dihydro-3aH-indeno[1,2-c]pyrrole-1,3-dione (CID 15662343) is 2-benzyl-8-methoxy-4,8b-dihydro-3aH-indeno[1,2-c]pyrrole-1,3-dione.
What is the SMILES notation for 2-benzyl-8-methoxy-4,8b-dihydro-3aH-indeno[1,2-c]pyrrole-1,3-dione?
The canonical SMILES for 2-benzyl-8-methoxy-4,8b-dihydro-3aH-indeno[1,2-c]pyrrole-1,3-dione is COc1cccc2c1C1C(=O)N(Cc3ccccc3)C(=O)C1C2.
What is the InChIKey of 2-benzyl-8-methoxy-4,8b-dihydro-3aH-indeno[1,2-c]pyrrole-1,3-dione?
The InChIKey is HUTWAWCHUDELEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-23-15-9-5-8-13-10-14-17(16(13)15)19(22)20(18(14)21)11-12-6-3-2-4-7-12/h2-9,14,17H,10-11H2,1H3.
What are the key properties of 2-benzyl-8-methoxy-4,8b-dihydro-3aH-indeno[1,2-c]pyrrole-1,3-dione?
2-benzyl-8-methoxy-4,8b-dihydro-3aH-indeno[1,2-c]pyrrole-1,3-dione has a molecular weight of 307.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-methoxy-4,8b-dihydro-3aH-indeno[1,2-c]pyrrole-1,3-dione is sourced from PubChem (CID 15662343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).