1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone

C16H15N3O4 — CID 3257964

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone
SMILESCC1Cc2ccccc2N1C(=O)COc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O4/c1-11-9-12-5-2-3-6-13(12)18(11)15(20)10-23-14-7-4-8-17-16(14)19(21)22/h2-8,11H,9-10H2,1H3
InChIKeyMJQJACGNTJYJFR-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.35
Rot. Bonds4

About 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone

1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone (PubChem CID 3257964) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone
PubChem CID3257964
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone
SMILESCC1Cc2ccccc2N1C(=O)COc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O4/c1-11-9-12-5-2-3-6-13(12)18(11)15(20)10-23-14-7-4-8-17-16(14)19(21)22/h2-8,11H,9-10H2,1H3
InChIKeyMJQJACGNTJYJFR-UHFFFAOYSA-N
XLogP2.35
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.35
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'}

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Related Compounds

1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone
CID 19798381
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzonitrile
CID 4303205
N-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 7867316
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
5-methoxy-2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde
CID 8634050
2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 61027527
5-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]-4H-1,4-benzoxazin-3-one
CID 99820097
2-(4-chloro-3,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 5076814
2-(4-chloro-3,5-dimethylphenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 903888
3-methoxy-4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde
CID 7894130
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] pyridine-4-carboxylate
CID 7889736
1-(2-methyl-2,3-dihydroindol-1-yl)-2-quinazolin-4-yloxyethanone
CID 5000915

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone (CID 3257964) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone is CC1Cc2ccccc2N1C(=O)COc1cccnc1[N+](=O)[O-].
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone?
The InChIKey is MJQJACGNTJYJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-11-9-12-5-2-3-6-13(12)18(11)15(20)10-23-14-7-4-8-17-16(14)19(21)22/h2-8,11H,9-10H2,1H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone has a molecular weight of 313.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone is sourced from PubChem (CID 3257964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).