3-(4-nitrophenyl)-1,3-dihydroindol-2-one

C14H10N2O3 — CID 112758281

IUPAC3-(4-nitrophenyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10N2O3/c17-14-13(11-3-1-2-4-12(11)15-14)9-5-7-10(8-6-9)16(18)19/h1-8,13H,(H,15,17)
InChIKeyVPKORSVNLUCZHN-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.68
Rot. Bonds2

About 3-(4-nitrophenyl)-1,3-dihydroindol-2-one

3-(4-nitrophenyl)-1,3-dihydroindol-2-one (PubChem CID 112758281) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-(4-nitrophenyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(4-nitrophenyl)-1,3-dihydroindol-2-one
PubChem CID112758281
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name3-(4-nitrophenyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10N2O3/c17-14-13(11-3-1-2-4-12(11)15-14)9-5-7-10(8-6-9)16(18)19/h1-8,13H,(H,15,17)
InChIKeyVPKORSVNLUCZHN-UHFFFAOYSA-N
XLogP2.68
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.68
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

4-(4-nitrophenyl)pyrrolidine-2,3,5-trione
CID 117060490
3-(4-nitrophenyl)-3H-1-benzofuran-2-one
CID 11334299
3-(9H-carbazol-3-yl)-1,3-dihydroindol-2-one
CID 132934190
(2R,4R)-4-methyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydroquinazoline
CID 129404314
3-hydroxy-5-nitro-1,3-dihydroindol-2-one
CID 61361847
3-[4-(morpholin-4-ylmethyl)phenyl]-1,3-dihydroindol-2-one
CID 90080531
(3aS,4R,9bR)-4-(4-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 26155145
[(2S,3S)-2-(4-nitrophenyl)-4-oxoazetidin-3-yl] benzoate
CID 15419481
(18S)-18-(4-nitrophenyl)-11,13,15-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaene-14,16-dione
CID 7305489
(3aR,4S,9bS)-4-(4-nitrophenyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline
CID 127045848
2-(4-nitrophenyl)-1,3-benzodioxole
CID 53305093
9-(4-nitrophenyl)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8)-diene-5,7,11,13-tetrone
CID 44623462

Frequently Asked Questions

What is the IUPAC name of 3-(4-nitrophenyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(4-nitrophenyl)-1,3-dihydroindol-2-one (CID 112758281) is 3-(4-nitrophenyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(4-nitrophenyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(4-nitrophenyl)-1,3-dihydroindol-2-one is O=C1Nc2ccccc2C1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-(4-nitrophenyl)-1,3-dihydroindol-2-one?
The InChIKey is VPKORSVNLUCZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-14-13(11-3-1-2-4-12(11)15-14)9-5-7-10(8-6-9)16(18)19/h1-8,13H,(H,15,17).
What are the key properties of 3-(4-nitrophenyl)-1,3-dihydroindol-2-one?
3-(4-nitrophenyl)-1,3-dihydroindol-2-one has a molecular weight of 254.25 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitrophenyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 112758281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).