N'-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-N-(4-nitrophenyl)oxamide

C19H15N5O5 — CID 3101776

IUPACN'-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-N-(4-nitrophenyl)oxamide
SMILESC=CCn1c(O)c(/N=N/C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc21
InChIInChI=1S/C19H15N5O5/c1-2-11-23-15-6-4-3-5-14(15)16(19(23)27)21-22-18(26)17(25)20-12-7-9-13(10-8-12)24(28)29/h2-10,27H,1,11H2,(H,20,25)/b22-21+
InChIKeyHLLLIXZTKREJEI-QURGRASLSA-N
MW393.36 g/mol
LogP3.69
Rot. Bonds5

About N'-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-N-(4-nitrophenyl)oxamide

N'-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-N-(4-nitrophenyl)oxamide (PubChem CID 3101776) has the molecular formula C19H15N5O5 and a molecular weight of 393.36 g/mol. Its IUPAC name is N'-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-N-(4-nitrophenyl)oxamide.

Molecular Properties

Compound NameN'-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-N-(4-nitrophenyl)oxamide
PubChem CID3101776
Molecular FormulaC19H15N5O5
Molecular Weight393.36 g/mol
Exact Mass393.11
IUPAC NameN'-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-N-(4-nitrophenyl)oxamide
SMILESC=CCn1c(O)c(/N=N/C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc21
InChIInChI=1S/C19H15N5O5/c1-2-11-23-15-6-4-3-5-14(15)16(19(23)27)21-22-18(26)17(25)20-12-7-9-13(10-8-12)24(28)29/h2-10,27H,1,11H2,(H,20,25)/b22-21+
InChIKeyHLLLIXZTKREJEI-QURGRASLSA-N
XLogP3.69
TPSA139.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-N-(4-nitrophenyl)oxamide?
The IUPAC name of N'-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-N-(4-nitrophenyl)oxamide (CID 3101776) is N'-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-N-(4-nitrophenyl)oxamide.
What is the SMILES notation for N'-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-N-(4-nitrophenyl)oxamide?
The canonical SMILES for N'-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-N-(4-nitrophenyl)oxamide is C=CCn1c(O)c(/N=N/C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc21.
What is the InChIKey of N'-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-N-(4-nitrophenyl)oxamide?
The InChIKey is HLLLIXZTKREJEI-QURGRASLSA-N. The full InChI is InChI=1S/C19H15N5O5/c1-2-11-23-15-6-4-3-5-14(15)16(19(23)27)21-22-18(26)17(25)20-12-7-9-13(10-8-12)24(28)29/h2-10,27H,1,11H2,(H,20,25)/b22-21+.
What are the key properties of N'-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-N-(4-nitrophenyl)oxamide?
N'-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-N-(4-nitrophenyl)oxamide has a molecular weight of 393.36 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-N-(4-nitrophenyl)oxamide is sourced from PubChem (CID 3101776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).