methane;5-nitro-1H-indole-2,3-dione

C9H8N2O4 — CID 174942814

IUPACmethane;5-nitro-1H-indole-2,3-dione
SMILESC.O=C1Nc2ccc([N+](=O)[O-])cc2C1=O
InChIInChI=1S/C8H4N2O4.CH4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12;/h1-3H,(H,9,11,12);1H4
InChIKeyAJJPBTIUKNSQAH-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.37
Rot. Bonds1

About methane;5-nitro-1H-indole-2,3-dione

methane;5-nitro-1H-indole-2,3-dione (PubChem CID 174942814) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is methane;5-nitro-1H-indole-2,3-dione.

Molecular Properties

Compound Namemethane;5-nitro-1H-indole-2,3-dione
PubChem CID174942814
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Namemethane;5-nitro-1H-indole-2,3-dione
SMILESC.O=C1Nc2ccc([N+](=O)[O-])cc2C1=O
InChIInChI=1S/C8H4N2O4.CH4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12;/h1-3H,(H,9,11,12);1H4
InChIKeyAJJPBTIUKNSQAH-UHFFFAOYSA-N
XLogP1.37
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.37
H-Bond Donors ≤ 51
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-(5-nitro-2-oxo-1H-indol-3-ylidene)propanedinitrile
CID 3374314
3-nitro-5,12-dihydrobenzo[c][1,6]benzodiazocine-6,11-dione
CID 3128964
3-[(2,6-dichlorophenyl)methylidene]-5-nitro-1H-indol-2-one
CID 75299377
3-methyl-7-nitro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 4860868
(3Z)-3-[(4-chlorophenyl)methylidene]-5-nitro-1H-indol-2-one
CID 134104720
(3Z)-5-nitro-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
CID 10658651
2-cyano-2-(5-nitro-2-oxo-1H-indol-3-ylidene)acetic acid
CID 85365721
5-bromo-1H-indole-2,3-dione;methane
CID 175094676
3-(4-tert-butylphenyl)imino-5-nitro-1H-indol-2-one
CID 135799773
(3E)-5-nitro-3-(thiophen-2-ylmethylidene)-1H-indol-2-one
CID 22394616
3-methyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
CID 623037
(3E)-3-[(5-bromofuran-2-yl)methylidene]-5-nitro-1H-indol-2-one
CID 46233682

Frequently Asked Questions

What is the IUPAC name of methane;5-nitro-1H-indole-2,3-dione?
The IUPAC name of methane;5-nitro-1H-indole-2,3-dione (CID 174942814) is methane;5-nitro-1H-indole-2,3-dione.
What is the SMILES notation for methane;5-nitro-1H-indole-2,3-dione?
The canonical SMILES for methane;5-nitro-1H-indole-2,3-dione is C.O=C1Nc2ccc([N+](=O)[O-])cc2C1=O.
What is the InChIKey of methane;5-nitro-1H-indole-2,3-dione?
The InChIKey is AJJPBTIUKNSQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2O4.CH4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12;/h1-3H,(H,9,11,12);1H4.
What are the key properties of methane;5-nitro-1H-indole-2,3-dione?
methane;5-nitro-1H-indole-2,3-dione has a molecular weight of 208.17 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-nitro-1H-indole-2,3-dione is sourced from PubChem (CID 174942814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).