2-(1-benzyl-2,3-dihydroindol-6-yl)-6,7-dihydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

C22H21N3O2 — CID 70300174

IUPAC2-(1-benzyl-2,3-dihydroindol-6-yl)-6,7-dihydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C1CN(c2ccc3c(c2)N(Cc2ccccc2)CC3)C(=O)C2=CCCN12
InChIInChI=1S/C22H21N3O2/c26-21-15-25(22(27)19-7-4-11-24(19)21)18-9-8-17-10-12-23(20(17)13-18)14-16-5-2-1-3-6-16/h1-3,5-9,13H,4,10-12,14-15H2
InChIKeyZBFOBCNQDKLSQQ-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.71
Rot. Bonds3

About 2-(1-benzyl-2,3-dihydroindol-6-yl)-6,7-dihydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

2-(1-benzyl-2,3-dihydroindol-6-yl)-6,7-dihydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 70300174) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(1-benzyl-2,3-dihydroindol-6-yl)-6,7-dihydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-(1-benzyl-2,3-dihydroindol-6-yl)-6,7-dihydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID70300174
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-(1-benzyl-2,3-dihydroindol-6-yl)-6,7-dihydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C1CN(c2ccc3c(c2)N(Cc2ccccc2)CC3)C(=O)C2=CCCN12
InChIInChI=1S/C22H21N3O2/c26-21-15-25(22(27)19-7-4-11-24(19)21)18-9-8-17-10-12-23(20(17)13-18)14-16-5-2-1-3-6-16/h1-3,5-9,13H,4,10-12,14-15H2
InChIKeyZBFOBCNQDKLSQQ-UHFFFAOYSA-N
XLogP2.71
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-2,3-dihydroindol-6-yl)-6,7-dihydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-(1-benzyl-2,3-dihydroindol-6-yl)-6,7-dihydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 70300174) is 2-(1-benzyl-2,3-dihydroindol-6-yl)-6,7-dihydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-(1-benzyl-2,3-dihydroindol-6-yl)-6,7-dihydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-(1-benzyl-2,3-dihydroindol-6-yl)-6,7-dihydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is O=C1CN(c2ccc3c(c2)N(Cc2ccccc2)CC3)C(=O)C2=CCCN12.
What is the InChIKey of 2-(1-benzyl-2,3-dihydroindol-6-yl)-6,7-dihydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is ZBFOBCNQDKLSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-21-15-25(22(27)19-7-4-11-24(19)21)18-9-8-17-10-12-23(20(17)13-18)14-16-5-2-1-3-6-16/h1-3,5-9,13H,4,10-12,14-15H2.
What are the key properties of 2-(1-benzyl-2,3-dihydroindol-6-yl)-6,7-dihydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
2-(1-benzyl-2,3-dihydroindol-6-yl)-6,7-dihydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 359.43 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2,3-dihydroindol-6-yl)-6,7-dihydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 70300174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).