2,3-dihydroindol-1-yl-(2,4-dinitrophenyl)methanone

C15H11N3O5 — CID 3101357

IUPAC2,3-dihydroindol-1-yl-(2,4-dinitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCc2ccccc21
InChIInChI=1S/C15H11N3O5/c19-15(16-8-7-10-3-1-2-4-13(10)16)12-6-5-11(17(20)21)9-14(12)18(22)23/h1-6,9H,7-8H2
InChIKeyONAXCCAQGGRGFY-UHFFFAOYSA-N
MW313.27 g/mol
LogP2.71
Rot. Bonds3

About 2,3-dihydroindol-1-yl-(2,4-dinitrophenyl)methanone

2,3-dihydroindol-1-yl-(2,4-dinitrophenyl)methanone (PubChem CID 3101357) has the molecular formula C15H11N3O5 and a molecular weight of 313.27 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(2,4-dinitrophenyl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(2,4-dinitrophenyl)methanone
PubChem CID3101357
Molecular FormulaC15H11N3O5
Molecular Weight313.27 g/mol
Exact Mass313.07
IUPAC Name2,3-dihydroindol-1-yl-(2,4-dinitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCc2ccccc21
InChIInChI=1S/C15H11N3O5/c19-15(16-8-7-10-3-1-2-4-13(10)16)12-6-5-11(17(20)21)9-14(12)18(22)23/h1-6,9H,7-8H2
InChIKeyONAXCCAQGGRGFY-UHFFFAOYSA-N
XLogP2.71
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(2,4-dinitrophenyl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(2,4-dinitrophenyl)methanone (CID 3101357) is 2,3-dihydroindol-1-yl-(2,4-dinitrophenyl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(2,4-dinitrophenyl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(2,4-dinitrophenyl)methanone is O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-(2,4-dinitrophenyl)methanone?
The InChIKey is ONAXCCAQGGRGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O5/c19-15(16-8-7-10-3-1-2-4-13(10)16)12-6-5-11(17(20)21)9-14(12)18(22)23/h1-6,9H,7-8H2.
What are the key properties of 2,3-dihydroindol-1-yl-(2,4-dinitrophenyl)methanone?
2,3-dihydroindol-1-yl-(2,4-dinitrophenyl)methanone has a molecular weight of 313.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(2,4-dinitrophenyl)methanone is sourced from PubChem (CID 3101357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).