1-(7-nitro-2,3-dihydroindol-1-yl)-2-phenylethanone

C16H14N2O3 — CID 112537046

IUPAC1-(7-nitro-2,3-dihydroindol-1-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCc2cccc([N+](=O)[O-])c21
InChIInChI=1S/C16H14N2O3/c19-15(11-12-5-2-1-3-6-12)17-10-9-13-7-4-8-14(16(13)17)18(20)21/h1-8H,9-11H2
InChIKeyWNLHSPORNPJQKL-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.73
Rot. Bonds3

About 1-(7-nitro-2,3-dihydroindol-1-yl)-2-phenylethanone

1-(7-nitro-2,3-dihydroindol-1-yl)-2-phenylethanone (PubChem CID 112537046) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-(7-nitro-2,3-dihydroindol-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(7-nitro-2,3-dihydroindol-1-yl)-2-phenylethanone
PubChem CID112537046
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name1-(7-nitro-2,3-dihydroindol-1-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCc2cccc([N+](=O)[O-])c21
InChIInChI=1S/C16H14N2O3/c19-15(11-12-5-2-1-3-6-12)17-10-9-13-7-4-8-14(16(13)17)18(20)21/h1-8H,9-11H2
InChIKeyWNLHSPORNPJQKL-UHFFFAOYSA-N
XLogP2.73
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.73
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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Related Compounds

2-methyl-1-(7-nitro-2,3-dihydroindol-1-yl)propan-1-one
CID 70797782
(2-methylphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone
CID 112537041
2-phenyl-1-[7-(1H-pyrazol-5-yl)-2,3-dihydroindol-1-yl]ethanone
CID 174670518
1-(7-amino-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
CID 114455761
(3-methoxyphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone
CID 112537037
1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-2-phenoxyethanone
CID 112537015
1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanone
CID 112536934
2-(2,3-dihydroindole-1-carbonyl)-6-nitrobenzoic acid
CID 4313762
1-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]-2-phenylethanone;oxalic acid
CID 17366525
1-[2-(4-nitrophenyl)acetyl]azetidin-2-one
CID 71616492
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxyphenyl)ethanone
CID 63214929
2-(4-ethoxyphenyl)-1-(7-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 110743982

Frequently Asked Questions

What is the IUPAC name of 1-(7-nitro-2,3-dihydroindol-1-yl)-2-phenylethanone?
The IUPAC name of 1-(7-nitro-2,3-dihydroindol-1-yl)-2-phenylethanone (CID 112537046) is 1-(7-nitro-2,3-dihydroindol-1-yl)-2-phenylethanone.
What is the SMILES notation for 1-(7-nitro-2,3-dihydroindol-1-yl)-2-phenylethanone?
The canonical SMILES for 1-(7-nitro-2,3-dihydroindol-1-yl)-2-phenylethanone is O=C(Cc1ccccc1)N1CCc2cccc([N+](=O)[O-])c21.
What is the InChIKey of 1-(7-nitro-2,3-dihydroindol-1-yl)-2-phenylethanone?
The InChIKey is WNLHSPORNPJQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15(11-12-5-2-1-3-6-12)17-10-9-13-7-4-8-14(16(13)17)18(20)21/h1-8H,9-11H2.
What are the key properties of 1-(7-nitro-2,3-dihydroindol-1-yl)-2-phenylethanone?
1-(7-nitro-2,3-dihydroindol-1-yl)-2-phenylethanone has a molecular weight of 282.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-nitro-2,3-dihydroindol-1-yl)-2-phenylethanone is sourced from PubChem (CID 112537046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).