5-nitroindol-1-amine

C8H7N3O2 — CID 10583430

IUPAC5-nitroindol-1-amine
SMILESNn1ccc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C8H7N3O2/c9-10-4-3-6-5-7(11(12)13)1-2-8(6)10/h1-5H,9H2
InChIKeySBZACGHWWDTLKD-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.26
Rot. Bonds1

About 5-nitroindol-1-amine

5-nitroindol-1-amine (PubChem CID 10583430) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 5-nitroindol-1-amine.

Molecular Properties

Compound Name5-nitroindol-1-amine
PubChem CID10583430
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name5-nitroindol-1-amine
SMILESNn1ccc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C8H7N3O2/c9-10-4-3-6-5-7(11(12)13)1-2-8(6)10/h1-5H,9H2
InChIKeySBZACGHWWDTLKD-UHFFFAOYSA-N
XLogP1.26
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-nitroindol-1-yl)ethanol
CID 141070113
trimethyl-(5-nitroindol-1-yl)silane
CID 553560
ethane;5-nitro-1-propan-2-ylindole
CID 143287721
1-(4-chlorophenyl)-5-nitroindole
CID 102404578
5-nitro-1-(2-nitrophenyl)indole
CID 86572839
2-(5-nitroindol-1-yl)propyl acetate
CID 174507560
2-(5-nitroindol-1-yl)propanoic acid
CID 60756249
1-(2-methylprop-2-enyl)-5-nitroindole
CID 116619158
1-(5-nitroindol-1-yl)propan-2-ol
CID 116619106
1-(5-nitroindol-1-yl)butan-2-one
CID 62041234
N-methyl-2-(5-nitroindol-1-yl)acetamide
CID 47460620
5-nitro-1-(2-pyrrolidin-1-ylethyl)indole
CID 11402695

Frequently Asked Questions

What is the IUPAC name of 5-nitroindol-1-amine?
The IUPAC name of 5-nitroindol-1-amine (CID 10583430) is 5-nitroindol-1-amine.
What is the SMILES notation for 5-nitroindol-1-amine?
The canonical SMILES for 5-nitroindol-1-amine is Nn1ccc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 5-nitroindol-1-amine?
The InChIKey is SBZACGHWWDTLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-10-4-3-6-5-7(11(12)13)1-2-8(6)10/h1-5H,9H2.
What are the key properties of 5-nitroindol-1-amine?
5-nitroindol-1-amine has a molecular weight of 177.16 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitroindol-1-amine is sourced from PubChem (CID 10583430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).