2-[3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione

C19H15N3O5 — CID 110287366

IUPAC2-[3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCC(=O)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C19H15N3O5/c23-17(20-9-7-12-5-6-13(22(26)27)11-16(12)20)8-10-21-18(24)14-3-1-2-4-15(14)19(21)25/h1-6,11H,7-10H2
InChIKeyKLNFGFSALMOZHN-UHFFFAOYSA-N
MW365.35 g/mol
LogP2.17
Rot. Bonds4

About 2-[3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione

2-[3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione (PubChem CID 110287366) has the molecular formula C19H15N3O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is 2-[3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione
PubChem CID110287366
Molecular FormulaC19H15N3O5
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC Name2-[3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCC(=O)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C19H15N3O5/c23-17(20-9-7-12-5-6-13(22(26)27)11-16(12)20)8-10-21-18(24)14-3-1-2-4-15(14)19(21)25/h1-6,11H,7-10H2
InChIKeyKLNFGFSALMOZHN-UHFFFAOYSA-N
XLogP2.17
TPSA100.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.17
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-nitroisoindole-1,3-dione
CID 2346726
1-(6-nitro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one
CID 37163328
5-bromo-2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 30429389
1-(6-nitro-2,3-dihydroindol-1-yl)hexadecan-1-one
CID 2848232
4-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)butan-1-one
CID 110427340
2-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 17439636
2-(2-fluorophenyl)sulfanyl-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 37162610
1-(6-nitro-2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylethanone
CID 32728455
3-(2-ethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)propan-1-one
CID 37161738
2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzo[de]isoquinoline-1,3-dione
CID 113202446
methyl 9-(6-nitro-2,3-dihydroindol-1-yl)-9-oxononanoate
CID 171647830
2-(methylamino)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119699453

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione (CID 110287366) is 2-[3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCC(=O)N1CCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 2-[3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione?
The InChIKey is KLNFGFSALMOZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5/c23-17(20-9-7-12-5-6-13(22(26)27)11-16(12)20)8-10-21-18(24)14-3-1-2-4-15(14)19(21)25/h1-6,11H,7-10H2.
What are the key properties of 2-[3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione?
2-[3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione has a molecular weight of 365.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione is sourced from PubChem (CID 110287366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).