6-acetyl-1,3-dihydroindol-2-one;molecular hydrogen

C10H11NO2 — CID 162521220

IUPAC6-acetyl-1,3-dihydroindol-2-one;molecular hydrogen
SMILESCC(=O)c1ccc2c(c1)NC(=O)C2.[H][H]
InChIInChI=1S/C10H9NO2.H2/c1-6(12)7-2-3-8-5-10(13)11-9(8)4-7;/h2-4H,5H2,1H3,(H,11,13);1H
InChIKeyZKXVDMHCZUCHQR-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.63
Rot. Bonds1

About 6-acetyl-1,3-dihydroindol-2-one;molecular hydrogen

6-acetyl-1,3-dihydroindol-2-one;molecular hydrogen (PubChem CID 162521220) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 6-acetyl-1,3-dihydroindol-2-one;molecular hydrogen.

Molecular Properties

Compound Name6-acetyl-1,3-dihydroindol-2-one;molecular hydrogen
PubChem CID162521220
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name6-acetyl-1,3-dihydroindol-2-one;molecular hydrogen
SMILESCC(=O)c1ccc2c(c1)NC(=O)C2.[H][H]
InChIInChI=1S/C10H9NO2.H2/c1-6(12)7-2-3-8-5-10(13)11-9(8)4-7;/h2-4H,5H2,1H3,(H,11,13);1H
InChIKeyZKXVDMHCZUCHQR-UHFFFAOYSA-N
XLogP1.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-1,3-dihydroindole-6-carbonyl chloride
CID 141361971
6-benzoyl-1,3-dihydroindol-2-one
CID 13408231
4-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2,6-dione
CID 102712523
N-methyl-2-oxo-N-pyridin-4-yl-1,3-dihydroindole-6-carboxamide
CID 106936749
3-(2-oxo-1,3-dihydroindole-6-carbonyl)benzamide
CID 68701510
N-[(1-methylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737430
2-oxo-N-(4-sulfanylphenyl)-1,3-dihydroindole-6-carboxamide
CID 162521066
N,N-bis(2-methylpropyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712015
N-methyl-N-(3-methylbutan-2-yl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711796
N-cyclopentyl-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712002
2-methyl-2-[methyl-(2-oxo-1,3-dihydroindole-6-carbonyl)amino]propanoic acid
CID 102710704
N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711852

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-1,3-dihydroindol-2-one;molecular hydrogen?
The IUPAC name of 6-acetyl-1,3-dihydroindol-2-one;molecular hydrogen (CID 162521220) is 6-acetyl-1,3-dihydroindol-2-one;molecular hydrogen.
What is the SMILES notation for 6-acetyl-1,3-dihydroindol-2-one;molecular hydrogen?
The canonical SMILES for 6-acetyl-1,3-dihydroindol-2-one;molecular hydrogen is CC(=O)c1ccc2c(c1)NC(=O)C2.[H][H].
What is the InChIKey of 6-acetyl-1,3-dihydroindol-2-one;molecular hydrogen?
The InChIKey is ZKXVDMHCZUCHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.H2/c1-6(12)7-2-3-8-5-10(13)11-9(8)4-7;/h2-4H,5H2,1H3,(H,11,13);1H.
What are the key properties of 6-acetyl-1,3-dihydroindol-2-one;molecular hydrogen?
6-acetyl-1,3-dihydroindol-2-one;molecular hydrogen has a molecular weight of 177.20 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-1,3-dihydroindol-2-one;molecular hydrogen is sourced from PubChem (CID 162521220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).