N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-4-nitroaniline

C16H14N4O2 — CID 135403175

IUPACN-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-4-nitroaniline
SMILESC/C(=N/Nc1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H14N4O2/c1-11(15-10-17-16-5-3-2-4-14(15)16)18-19-12-6-8-13(9-7-12)20(21)22/h2-10,17,19H,1H3/b18-11-
InChIKeyMACAZAICUYXHTF-WQRHYEAKSA-N
MW294.31 g/mol
LogP3.91
Rot. Bonds4

About N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-4-nitroaniline

N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-4-nitroaniline (PubChem CID 135403175) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-4-nitroaniline.

Molecular Properties

Compound NameN-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-4-nitroaniline
PubChem CID135403175
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-4-nitroaniline
SMILESC/C(=N/Nc1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H14N4O2/c1-11(15-10-17-16-5-3-2-4-14(15)16)18-19-12-6-8-13(9-7-12)20(21)22/h2-10,17,19H,1H3/b18-11-
InChIKeyMACAZAICUYXHTF-WQRHYEAKSA-N
XLogP3.91
TPSA83.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-Nitroindole
CID 22523
6-Nitrogramine
CID 23385
1H-Indole, 1-(4-fluorophenyl)-5-nitro-3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-
CID 3065055
2-(1H-indol-3-yl)-2-phenylethan-1-amine
CID 609935
Indole-3-acetaldoxime
CID 5371769
(Z)-indol-3-ylacetaldoxime
CID 5459978
Hydroxytryptamine
CID 13571630
3-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 6618861
3-Benzyl-1H-indole
CID 231168
3-Indolecarboxylaldehyde, azine
CID 135400613
3-Nitrocarbazole
CID 76503
6-nitro-2,3,4,9-tetrahydro-1H-carbazole
CID 258747

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-4-nitroaniline?
The IUPAC name of N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-4-nitroaniline (CID 135403175) is N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-4-nitroaniline.
What is the SMILES notation for N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-4-nitroaniline?
The canonical SMILES for N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-4-nitroaniline is C/C(=N/Nc1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-4-nitroaniline?
The InChIKey is MACAZAICUYXHTF-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-11(15-10-17-16-5-3-2-4-14(15)16)18-19-12-6-8-13(9-7-12)20(21)22/h2-10,17,19H,1H3/b18-11-.
What are the key properties of N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-4-nitroaniline?
N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-4-nitroaniline has a molecular weight of 294.31 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-4-nitroaniline is sourced from PubChem (CID 135403175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).