6,7-dihydroindol-3-one

C8H7NO — CID 174864065

IUPAC6,7-dihydroindol-3-one
SMILESO=C1C=NC2=C1C=CCC2
InChIInChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1,3,5H,2,4H2
InChIKeyWVQNVTNMGRSJSO-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.24
Rot. Bonds

About 6,7-dihydroindol-3-one

6,7-dihydroindol-3-one (PubChem CID 174864065) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is 6,7-dihydroindol-3-one.

Molecular Properties

Compound Name6,7-dihydroindol-3-one
PubChem CID174864065
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name6,7-dihydroindol-3-one
SMILESO=C1C=NC2=C1C=CCC2
InChIInChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1,3,5H,2,4H2
InChIKeyWVQNVTNMGRSJSO-UHFFFAOYSA-N
XLogP1.24
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Isoindol-6-one
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CID 90796494
CID 90796494
Cyclopentaquinolin-4(5h)-one
CID 139266878
3,6-Dihydroindol-7-one
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Cyclopenta[c]pyridin-6-one
CID 19748666
Cyclopenta[g]quinolin-3-one
CID 57158479
6H-indole-3,5-dione
CID 68606814
4H-1-benzazepine-3,8-dione
CID 70568790
9H-1-benzazepine-3,8-dione
CID 70568792

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydroindol-3-one?
The IUPAC name of 6,7-dihydroindol-3-one (CID 174864065) is 6,7-dihydroindol-3-one.
What is the SMILES notation for 6,7-dihydroindol-3-one?
The canonical SMILES for 6,7-dihydroindol-3-one is O=C1C=NC2=C1C=CCC2.
What is the InChIKey of 6,7-dihydroindol-3-one?
The InChIKey is WVQNVTNMGRSJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1,3,5H,2,4H2.
What are the key properties of 6,7-dihydroindol-3-one?
6,7-dihydroindol-3-one has a molecular weight of 133.15 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydroindol-3-one is sourced from PubChem (CID 174864065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).