ethane;5-methyl-1H-indole-2,3-dione

C13H19NO2 — CID 167465051

IUPACethane;5-methyl-1H-indole-2,3-dione
SMILESCC.CC.Cc1ccc2c(c1)C(=O)C(=O)N2
InChIInChI=1S/C9H7NO2.2C2H6/c1-5-2-3-7-6(4-5)8(11)9(12)10-7;2*1-2/h2-4H,1H3,(H,10,11,12);2*1-2H3
InChIKeyKFZPMUGKLUGOTJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.18
Rot. Bonds

About ethane;5-methyl-1H-indole-2,3-dione

ethane;5-methyl-1H-indole-2,3-dione (PubChem CID 167465051) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is ethane;5-methyl-1H-indole-2,3-dione.

Molecular Properties

Compound Nameethane;5-methyl-1H-indole-2,3-dione
PubChem CID167465051
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nameethane;5-methyl-1H-indole-2,3-dione
SMILESCC.CC.Cc1ccc2c(c1)C(=O)C(=O)N2
InChIInChI=1S/C9H7NO2.2C2H6/c1-5-2-3-7-6(4-5)8(11)9(12)10-7;2*1-2/h2-4H,1H3,(H,10,11,12);2*1-2H3
InChIKeyKFZPMUGKLUGOTJ-UHFFFAOYSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-(carboxymethyl)-5-hydroxy-2-methylphenyl]acetic acid;5-methyl-1H-indole-2,3-dione
CID 157361158
CID 88931083
CID 88931083
5-amino-1H-indole-2,3-dione;hydrochloride
CID 133055116
5-bromo-1H-indole-2,3-dione;methane
CID 175094676
5-(6-methyl-1,3-benzothiazol-2-yl)-1H-indole-2,3-dione
CID 16794953
5-(2-methylpropyl)-1H-indole-2,3-dione
CID 13036487
ethane;5-ethylsulfanyl-1H-indole-2,3-dione;2-methylpropane
CID 143558848
(3E)-3-[(4-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one
CID 92958265
6,13-dichloro-2,9-dimethyl-5,5a,12,12a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90696873
2,3-dioxo-1H-indole-5-carbonyl chloride
CID 58833990
2,3-dioxo-1H-indole-5-sulfonic acid;hydrochloride
CID 87793086
2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione
CID 135497959

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1H-indole-2,3-dione?
The IUPAC name of ethane;5-methyl-1H-indole-2,3-dione (CID 167465051) is ethane;5-methyl-1H-indole-2,3-dione.
What is the SMILES notation for ethane;5-methyl-1H-indole-2,3-dione?
The canonical SMILES for ethane;5-methyl-1H-indole-2,3-dione is CC.CC.Cc1ccc2c(c1)C(=O)C(=O)N2.
What is the InChIKey of ethane;5-methyl-1H-indole-2,3-dione?
The InChIKey is KFZPMUGKLUGOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2.2C2H6/c1-5-2-3-7-6(4-5)8(11)9(12)10-7;2*1-2/h2-4H,1H3,(H,10,11,12);2*1-2H3.
What are the key properties of ethane;5-methyl-1H-indole-2,3-dione?
ethane;5-methyl-1H-indole-2,3-dione has a molecular weight of 221.30 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1H-indole-2,3-dione is sourced from PubChem (CID 167465051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).