1-(2,3-dihydroindol-1-yl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxyethanone

C17H15N3O4 — CID 6902967

IUPAC1-(2,3-dihydroindol-1-yl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxyethanone
SMILESO=C(CO/N=C/c1cccc([N+](=O)[O-])c1)N1CCc2ccccc21
InChIInChI=1S/C17H15N3O4/c21-17(19-9-8-14-5-1-2-7-16(14)19)12-24-18-11-13-4-3-6-15(10-13)20(22)23/h1-7,10-11H,8-9,12H2/b18-11+
InChIKeyDXTSTEXPTYBFGR-WOJGMQOQSA-N
MW325.32 g/mol
LogP2.53
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxyethanone

1-(2,3-dihydroindol-1-yl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxyethanone (PubChem CID 6902967) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxyethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxyethanone
PubChem CID6902967
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxyethanone
SMILESO=C(CO/N=C/c1cccc([N+](=O)[O-])c1)N1CCc2ccccc21
InChIInChI=1S/C17H15N3O4/c21-17(19-9-8-14-5-1-2-7-16(14)19)12-24-18-11-13-4-3-6-15(10-13)20(22)23/h1-7,10-11H,8-9,12H2/b18-11+
InChIKeyDXTSTEXPTYBFGR-WOJGMQOQSA-N
XLogP2.53
TPSA85.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide
CID 7666370
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-chloro-4-nitrobenzoate
CID 2433629
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone
CID 7670644
2-[[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone
CID 2446018
2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone
CID 6905784
2-[(2-chlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 2446276
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-nitrobenzenesulfonamide
CID 110370809
[(4-nitrophenyl)methylideneamino] 3,4-dihydro-2H-quinoline-1-carboxylate
CID 175183794
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate
CID 9106937
2-[(3-nitrophenyl)methylideneamino]oxy-N-phenyl-N-propan-2-ylacetamide
CID 2415241
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-nitroisoindole-1,3-dione
CID 2346726

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxyethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxyethanone (CID 6902967) is 1-(2,3-dihydroindol-1-yl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxyethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxyethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxyethanone is O=C(CO/N=C/c1cccc([N+](=O)[O-])c1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxyethanone?
The InChIKey is DXTSTEXPTYBFGR-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H15N3O4/c21-17(19-9-8-14-5-1-2-7-16(14)19)12-24-18-11-13-4-3-6-15(10-13)20(22)23/h1-7,10-11H,8-9,12H2/b18-11+.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxyethanone?
1-(2,3-dihydroindol-1-yl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxyethanone has a molecular weight of 325.32 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxyethanone is sourced from PubChem (CID 6902967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).