methane;2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide

C11H11N3O4 — CID 158561072

IUPACmethane;2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
SMILESC.NC(=O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C10H7N3O4.CH4/c11-10(15)9(14)7-4-12-8-2-1-5(13(16)17)3-6(7)8;/h1-4,12H,(H2,11,15);1H4
InChIKeyHQWVDPUYXIRFRW-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.38
Rot. Bonds3

About methane;2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide

methane;2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 158561072) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is methane;2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound Namemethane;2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
PubChem CID158561072
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Namemethane;2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
SMILESC.NC(=O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C10H7N3O4.CH4/c11-10(15)9(14)7-4-12-8-2-1-5(13(16)17)3-6(7)8;/h1-4,12H,(H2,11,15);1H4
InChIKeyHQWVDPUYXIRFRW-UHFFFAOYSA-N
XLogP1.38
TPSA119.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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

2,2-dimethyl-1-(5-nitro-1H-indol-3-yl)propan-1-one
CID 43340493
(2-methoxy-2-oxoethyl) 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate
CID 10662398
cycloheptyl-(5-nitro-1H-indol-3-yl)methanone
CID 62587035
2,2-dimethyl-1-(5-nitro-1H-indol-3-yl)butan-1-one
CID 62679540
2-(5-nitro-1H-indol-3-yl)-2-oxo-N-(1H-pyrrol-2-ylmethyl)acetamide
CID 11609306
methyl 2-(6-nitro-1H-indol-3-yl)-2-oxoacetate
CID 75412293
(5-nitro-1H-indol-3-yl)-pyridin-3-ylmethanone
CID 43340513
(5-bromo-3-pyridinyl)-(5-nitro-1H-indol-3-yl)methanone
CID 43340497
5-nitro-1H-indole-3-sulfinic acid
CID 165454900
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
6-[(5-nitro-1H-indole-3-carbonyl)amino]hexanoic acid
CID 119220047
(5-nitro-1H-indol-3-yl)-(oxan-2-yl)methanone
CID 62215299

Frequently Asked Questions

What is the IUPAC name of methane;2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of methane;2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide (CID 158561072) is methane;2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for methane;2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for methane;2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide is C.NC(=O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of methane;2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is HQWVDPUYXIRFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O4.CH4/c11-10(15)9(14)7-4-12-8-2-1-5(13(16)17)3-6(7)8;/h1-4,12H,(H2,11,15);1H4.
What are the key properties of methane;2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide?
methane;2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 249.23 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 158561072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).