ethane;5-methyl-1,3-dihydroindol-2-one

C13H21NO — CID 91234498

IUPACethane;5-methyl-1,3-dihydroindol-2-one
SMILESCC.CC.Cc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C9H9NO.2C2H6/c1-6-2-3-8-7(4-6)5-9(11)10-8;2*1-2/h2-4H,5H2,1H3,(H,10,11);2*1-2H3
InChIKeyNTKRPIFMVFMKHQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.54
Rot. Bonds

About ethane;5-methyl-1,3-dihydroindol-2-one

ethane;5-methyl-1,3-dihydroindol-2-one (PubChem CID 91234498) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is ethane;5-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Nameethane;5-methyl-1,3-dihydroindol-2-one
PubChem CID91234498
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Nameethane;5-methyl-1,3-dihydroindol-2-one
SMILESCC.CC.Cc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C9H9NO.2C2H6/c1-6-2-3-8-7(4-6)5-9(11)10-8;2*1-2/h2-4H,5H2,1H3,(H,10,11);2*1-2H3
InChIKeyNTKRPIFMVFMKHQ-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1,3-dihydroindol-2-one;ethane
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CID 160830162
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5-[1-bromo-2-(4-methylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 61097737
2-(4-methylphenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]acetamide
CID 110781350
2-amino-2-(4-methylphenyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 120667587
5-[[bromomethyl(methyl)amino]methyl]-1,3-dihydroindol-2-one
CID 115262041

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1,3-dihydroindol-2-one?
The IUPAC name of ethane;5-methyl-1,3-dihydroindol-2-one (CID 91234498) is ethane;5-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for ethane;5-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for ethane;5-methyl-1,3-dihydroindol-2-one is CC.CC.Cc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of ethane;5-methyl-1,3-dihydroindol-2-one?
The InChIKey is NTKRPIFMVFMKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO.2C2H6/c1-6-2-3-8-7(4-6)5-9(11)10-8;2*1-2/h2-4H,5H2,1H3,(H,10,11);2*1-2H3.
What are the key properties of ethane;5-methyl-1,3-dihydroindol-2-one?
ethane;5-methyl-1,3-dihydroindol-2-one has a molecular weight of 207.32 g/mol, XLogP of 3.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 91234498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).