2-(3-nitro-1H-indol-7-yl)ethanamine

C10H11N3O2 — CID 83882305

IUPAC2-(3-nitro-1H-indol-7-yl)ethanamine
SMILESNCCc1cccc2c([N+](=O)[O-])c[nH]c12
InChIInChI=1S/C10H11N3O2/c11-5-4-7-2-1-3-8-9(13(14)15)6-12-10(7)8/h1-3,6,12H,4-5,11H2
InChIKeyCPCFKXKGVUINSB-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.58
Rot. Bonds3

About 2-(3-nitro-1H-indol-7-yl)ethanamine

2-(3-nitro-1H-indol-7-yl)ethanamine (PubChem CID 83882305) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-(3-nitro-1H-indol-7-yl)ethanamine.

Molecular Properties

Compound Name2-(3-nitro-1H-indol-7-yl)ethanamine
PubChem CID83882305
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-(3-nitro-1H-indol-7-yl)ethanamine
SMILESNCCc1cccc2c([N+](=O)[O-])c[nH]c12
InChIInChI=1S/C10H11N3O2/c11-5-4-7-2-1-3-8-9(13(14)15)6-12-10(7)8/h1-3,6,12H,4-5,11H2
InChIKeyCPCFKXKGVUINSB-UHFFFAOYSA-N
XLogP1.58
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-(3-nitro-1H-indol-7-yl)acetic acid
CID 83889215
2-(3-nitro-1H-indol-7-yl)acetaldehyde
CID 83881757
2-(3-methyl-1H-indol-7-yl)ethanamine
CID 76846888
(7-nitro-1H-indol-3-yl)methanamine
CID 76844656
2-(5-fluoro-7-nitro-1H-indol-3-yl)ethanamine
CID 164872786
2-(5-methoxy-7-nitro-1H-indol-3-yl)ethanamine
CID 10934571
3-(2-nitrophenyl)propan-1-amine
CID 15715793
2-(7-methyl-1H-indol-3-yl)ethanamine chloride
CID 53351005
2-(1-methyl-3-nitroindol-4-yl)ethanamine
CID 83888685
7-nitro-1H-indole-3-carboxamide
CID 57287877
(1S)-1-(7-nitro-1H-indol-3-yl)propan-1-amine
CID 104985014
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitro-1H-indol-7-yl)ethanamine?
The IUPAC name of 2-(3-nitro-1H-indol-7-yl)ethanamine (CID 83882305) is 2-(3-nitro-1H-indol-7-yl)ethanamine.
What is the SMILES notation for 2-(3-nitro-1H-indol-7-yl)ethanamine?
The canonical SMILES for 2-(3-nitro-1H-indol-7-yl)ethanamine is NCCc1cccc2c([N+](=O)[O-])c[nH]c12.
What is the InChIKey of 2-(3-nitro-1H-indol-7-yl)ethanamine?
The InChIKey is CPCFKXKGVUINSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-5-4-7-2-1-3-8-9(13(14)15)6-12-10(7)8/h1-3,6,12H,4-5,11H2.
What are the key properties of 2-(3-nitro-1H-indol-7-yl)ethanamine?
2-(3-nitro-1H-indol-7-yl)ethanamine has a molecular weight of 205.22 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitro-1H-indol-7-yl)ethanamine is sourced from PubChem (CID 83882305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).