2-(1H-indol-3-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone

C18H15N3O3 — CID 47016880

IUPAC2-(1H-indol-3-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C18H15N3O3/c22-18(9-13-11-19-16-4-2-1-3-15(13)16)20-8-7-12-5-6-14(21(23)24)10-17(12)20/h1-6,10-11,19H,7-9H2
InChIKeyDPFNQGBZLZMNGY-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.21
Rot. Bonds3

About 2-(1H-indol-3-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone

2-(1H-indol-3-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone (PubChem CID 47016880) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
PubChem CID47016880
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name2-(1H-indol-3-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C18H15N3O3/c22-18(9-13-11-19-16-4-2-1-3-15(13)16)20-8-7-12-5-6-14(21(23)24)10-17(12)20/h1-6,10-11,19H,7-9H2
InChIKeyDPFNQGBZLZMNGY-UHFFFAOYSA-N
XLogP3.21
TPSA79.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
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

1-(6-amino-2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone
CID 28707109
2-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 17439636
1-[2-(1H-indol-3-yl)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769527
2-(1H-indol-3-yl)-1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110749663
4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-quinolin-2-one
CID 71900043
2-(2-fluorophenyl)sulfanyl-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 37162610
2-(6-chloro-1H-indol-3-yl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 113209785
1-(6-nitro-2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylethanone
CID 32728455
1-(6-nitro-2,3-dihydroindol-1-yl)hexadecan-1-one
CID 2848232
1-(6-nitro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one
CID 37163328
4-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)butan-1-one
CID 110427340
2-(methylamino)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119699453

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone (CID 47016880) is 2-(1H-indol-3-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone is O=C(Cc1c[nH]c2ccccc12)N1CCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 2-(1H-indol-3-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is DPFNQGBZLZMNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c22-18(9-13-11-19-16-4-2-1-3-15(13)16)20-8-7-12-5-6-14(21(23)24)10-17(12)20/h1-6,10-11,19H,7-9H2.
What are the key properties of 2-(1H-indol-3-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone?
2-(1H-indol-3-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 321.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 47016880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).