2,3-dihydroindol-1-yl-(3-nitrophenyl)methanone

C15H12N2O3 — CID 694109

IUPAC2,3-dihydroindol-1-yl-(3-nitrophenyl)methanone
SMILESO=C(c1cccc([N+](=O)[O-])c1)N1CCc2ccccc21
InChIInChI=1S/C15H12N2O3/c18-15(12-5-3-6-13(10-12)17(19)20)16-9-8-11-4-1-2-7-14(11)16/h1-7,10H,8-9H2
InChIKeyGPSREAPGWMKQEX-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.80
Rot. Bonds2

About 2,3-dihydroindol-1-yl-(3-nitrophenyl)methanone

2,3-dihydroindol-1-yl-(3-nitrophenyl)methanone (PubChem CID 694109) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(3-nitrophenyl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(3-nitrophenyl)methanone
PubChem CID694109
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2,3-dihydroindol-1-yl-(3-nitrophenyl)methanone
SMILESO=C(c1cccc([N+](=O)[O-])c1)N1CCc2ccccc21
InChIInChI=1S/C15H12N2O3/c18-15(12-5-3-6-13(10-12)17(19)20)16-9-8-11-4-1-2-7-14(11)16/h1-7,10H,8-9H2
InChIKeyGPSREAPGWMKQEX-UHFFFAOYSA-N
XLogP2.80
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3-nitrophenyl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(3-nitrophenyl)methanone (CID 694109) is 2,3-dihydroindol-1-yl-(3-nitrophenyl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(3-nitrophenyl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(3-nitrophenyl)methanone is O=C(c1cccc([N+](=O)[O-])c1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-(3-nitrophenyl)methanone?
The InChIKey is GPSREAPGWMKQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-15(12-5-3-6-13(10-12)17(19)20)16-9-8-11-4-1-2-7-14(11)16/h1-7,10H,8-9H2.
What are the key properties of 2,3-dihydroindol-1-yl-(3-nitrophenyl)methanone?
2,3-dihydroindol-1-yl-(3-nitrophenyl)methanone has a molecular weight of 268.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(3-nitrophenyl)methanone is sourced from PubChem (CID 694109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).