5-amino-1-ethyl-3H-indol-2-one;1-ethyl-5-nitro-3H-indol-2-one

C20H22N4O4 — CID 162255854

IUPAC5-amino-1-ethyl-3H-indol-2-one;1-ethyl-5-nitro-3H-indol-2-one
SMILESCCN1C(=O)Cc2cc(N)ccc21.CCN1C(=O)Cc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C10H10N2O3.C10H12N2O/c1-2-11-9-4-3-8(12(14)15)5-7(9)6-10(11)13;1-2-12-9-4-3-8(11)5-7(9)6-10(12)13/h3-5H,2,6H2,1H3;3-5H,2,6,11H2,1H3
InChIKeyZYOVEQJAVVFHAZ-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.68
Rot. Bonds3

About 5-amino-1-ethyl-3H-indol-2-one;1-ethyl-5-nitro-3H-indol-2-one

5-amino-1-ethyl-3H-indol-2-one;1-ethyl-5-nitro-3H-indol-2-one (PubChem CID 162255854) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-amino-1-ethyl-3H-indol-2-one;1-ethyl-5-nitro-3H-indol-2-one.

Molecular Properties

Compound Name5-amino-1-ethyl-3H-indol-2-one;1-ethyl-5-nitro-3H-indol-2-one
PubChem CID162255854
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name5-amino-1-ethyl-3H-indol-2-one;1-ethyl-5-nitro-3H-indol-2-one
SMILESCCN1C(=O)Cc2cc(N)ccc21.CCN1C(=O)Cc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C10H10N2O3.C10H12N2O/c1-2-11-9-4-3-8(12(14)15)5-7(9)6-10(11)13;1-2-12-9-4-3-8(11)5-7(9)6-10(12)13/h3-5H,2,6H2,1H3;3-5H,2,6,11H2,1H3
InChIKeyZYOVEQJAVVFHAZ-UHFFFAOYSA-N
XLogP2.68
TPSA109.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-nitro-2-oxo-3H-indol-1-yl)acetonitrile
CID 165104212
1-(3-hydroxybutyl)-5-nitro-3H-indol-2-one
CID 114983007
5-amino-1-ethyl-3H-indol-2-one;ethanol;bis(1-ethyl-5-nitro-3H-indol-2-one);N'-(1-ethyl-2-oxo-3H-indol-5-yl)thiophene-2-carboximidamide;methane;methyl ethanimidothioate;hydroiodide
CID 159396242
1-(4-chlorobut-2-enyl)-5-nitro-3H-indol-2-one
CID 77051367
1-[(2-amino-3-pyridinyl)methyl]-5-nitro-3H-indol-2-one
CID 62466164
1-(2-morpholin-4-ylethyl)-5-nitro-3H-indol-2-one
CID 169265741
4-(5-nitro-2-oxo-3H-indol-1-yl)butanehydrazide
CID 63577959
5-amino-1-nonyl-3H-indol-2-one
CID 43446434
5-amino-1-decyl-3H-indol-2-one
CID 62221874
5-(2-aminoethyl)-1-ethyl-3H-indol-2-one
CID 82190443
1-cyclopropyl-5-nitro-3H-indol-2-one
CID 69317249
methyl 2-methyl-4-(5-nitro-2-oxo-3H-indol-1-yl)but-2-enoate
CID 77076506

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-3H-indol-2-one;1-ethyl-5-nitro-3H-indol-2-one?
The IUPAC name of 5-amino-1-ethyl-3H-indol-2-one;1-ethyl-5-nitro-3H-indol-2-one (CID 162255854) is 5-amino-1-ethyl-3H-indol-2-one;1-ethyl-5-nitro-3H-indol-2-one.
What is the SMILES notation for 5-amino-1-ethyl-3H-indol-2-one;1-ethyl-5-nitro-3H-indol-2-one?
The canonical SMILES for 5-amino-1-ethyl-3H-indol-2-one;1-ethyl-5-nitro-3H-indol-2-one is CCN1C(=O)Cc2cc(N)ccc21.CCN1C(=O)Cc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 5-amino-1-ethyl-3H-indol-2-one;1-ethyl-5-nitro-3H-indol-2-one?
The InChIKey is ZYOVEQJAVVFHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3.C10H12N2O/c1-2-11-9-4-3-8(12(14)15)5-7(9)6-10(11)13;1-2-12-9-4-3-8(11)5-7(9)6-10(12)13/h3-5H,2,6H2,1H3;3-5H,2,6,11H2,1H3.
What are the key properties of 5-amino-1-ethyl-3H-indol-2-one;1-ethyl-5-nitro-3H-indol-2-one?
5-amino-1-ethyl-3H-indol-2-one;1-ethyl-5-nitro-3H-indol-2-one has a molecular weight of 382.42 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-3H-indol-2-one;1-ethyl-5-nitro-3H-indol-2-one is sourced from PubChem (CID 162255854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).