3-(4-aminophenyl)imino-5-nitro-1H-indol-2-one

C14H10N4O3 — CID 146681530

IUPAC3-(4-aminophenyl)imino-5-nitro-1H-indol-2-one
SMILESNc1ccc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1
InChIInChI=1S/C14H10N4O3/c15-8-1-3-9(4-2-8)16-13-11-7-10(18(20)21)5-6-12(11)17-14(13)19/h1-7H,15H2,(H,16,17,19)
InChIKeyJUIOHVCPZSWZRJ-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.25
Rot. Bonds2

About 3-(4-aminophenyl)imino-5-nitro-1H-indol-2-one

3-(4-aminophenyl)imino-5-nitro-1H-indol-2-one (PubChem CID 146681530) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 3-(4-aminophenyl)imino-5-nitro-1H-indol-2-one.

Molecular Properties

Compound Name3-(4-aminophenyl)imino-5-nitro-1H-indol-2-one
PubChem CID146681530
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name3-(4-aminophenyl)imino-5-nitro-1H-indol-2-one
SMILESNc1ccc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1
InChIInChI=1S/C14H10N4O3/c15-8-1-3-9(4-2-8)16-13-11-7-10(18(20)21)5-6-12(11)17-14(13)19/h1-7H,15H2,(H,16,17,19)
InChIKeyJUIOHVCPZSWZRJ-UHFFFAOYSA-N
XLogP2.25
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)imino-5-nitro-1H-indol-2-one?
The IUPAC name of 3-(4-aminophenyl)imino-5-nitro-1H-indol-2-one (CID 146681530) is 3-(4-aminophenyl)imino-5-nitro-1H-indol-2-one.
What is the SMILES notation for 3-(4-aminophenyl)imino-5-nitro-1H-indol-2-one?
The canonical SMILES for 3-(4-aminophenyl)imino-5-nitro-1H-indol-2-one is Nc1ccc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1.
What is the InChIKey of 3-(4-aminophenyl)imino-5-nitro-1H-indol-2-one?
The InChIKey is JUIOHVCPZSWZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c15-8-1-3-9(4-2-8)16-13-11-7-10(18(20)21)5-6-12(11)17-14(13)19/h1-7H,15H2,(H,16,17,19).
What are the key properties of 3-(4-aminophenyl)imino-5-nitro-1H-indol-2-one?
3-(4-aminophenyl)imino-5-nitro-1H-indol-2-one has a molecular weight of 282.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)imino-5-nitro-1H-indol-2-one is sourced from PubChem (CID 146681530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).