2-amino-1-(2-nitro-1H-indol-3-yl)ethanone

C10H9N3O3 — CID 141156081

IUPAC2-amino-1-(2-nitro-1H-indol-3-yl)ethanone
SMILESNCC(=O)c1c([N+](=O)[O-])[nH]c2ccccc12
InChIInChI=1S/C10H9N3O3/c11-5-8(14)9-6-3-1-2-4-7(6)12-10(9)13(15)16/h1-4,12H,5,11H2
InChIKeyRDEQODLZXDZCHX-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.22
Rot. Bonds3

About 2-amino-1-(2-nitro-1H-indol-3-yl)ethanone

2-amino-1-(2-nitro-1H-indol-3-yl)ethanone (PubChem CID 141156081) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-amino-1-(2-nitro-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-nitro-1H-indol-3-yl)ethanone
PubChem CID141156081
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name2-amino-1-(2-nitro-1H-indol-3-yl)ethanone
SMILESNCC(=O)c1c([N+](=O)[O-])[nH]c2ccccc12
InChIInChI=1S/C10H9N3O3/c11-5-8(14)9-6-3-1-2-4-7(6)12-10(9)13(15)16/h1-4,12H,5,11H2
InChIKeyRDEQODLZXDZCHX-UHFFFAOYSA-N
XLogP1.22
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.22
H-Bond Donors ≤ 52
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

2-amino-1-[2-(trifluoromethyl)-1H-indol-3-yl]ethanone
CID 84703215
diethyl 2-(2-nitro-1H-indol-3-yl)propanedioate
CID 10969240
ethyl 3-(2-nitro-1H-indol-3-yl)propanoate
CID 140973009
3-methoxy-2-nitro-1H-indole
CID 66764550
2-amino-1-(9H-carbazol-2-yl)ethanone
CID 170860262
2-(2-aminoethyl)-1H-indole-3-carboxylic acid
CID 105456001
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-methyl-4-nitrobenzoate
CID 2689685
1-(2-hydroxy-1H-indol-3-yl)propan-1-one
CID 15650287
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 16958586
methyl 3-propanoyl-1H-indole-2-carboxylate
CID 23245117
ethyl 2-amino-1H-indole-3-carboxylate
CID 1476606
2-[2-(4-nitrophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide
CID 25108097

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-nitro-1H-indol-3-yl)ethanone?
The IUPAC name of 2-amino-1-(2-nitro-1H-indol-3-yl)ethanone (CID 141156081) is 2-amino-1-(2-nitro-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-amino-1-(2-nitro-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-amino-1-(2-nitro-1H-indol-3-yl)ethanone is NCC(=O)c1c([N+](=O)[O-])[nH]c2ccccc12.
What is the InChIKey of 2-amino-1-(2-nitro-1H-indol-3-yl)ethanone?
The InChIKey is RDEQODLZXDZCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c11-5-8(14)9-6-3-1-2-4-7(6)12-10(9)13(15)16/h1-4,12H,5,11H2.
What are the key properties of 2-amino-1-(2-nitro-1H-indol-3-yl)ethanone?
2-amino-1-(2-nitro-1H-indol-3-yl)ethanone has a molecular weight of 219.20 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-nitro-1H-indol-3-yl)ethanone is sourced from PubChem (CID 141156081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).