6-methyl-2,3-dihydroindol-5-one

C9H9NO — CID 130030815

IUPAC6-methyl-2,3-dihydroindol-5-one
SMILESCC1=CC2=NCCC2=CC1=O
InChIInChI=1S/C9H9NO/c1-6-4-8-7(2-3-10-8)5-9(6)11/h4-5H,2-3H2,1H3
InChIKeyGEJLSJTZRQARHG-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.29
Rot. Bonds

About 6-methyl-2,3-dihydroindol-5-one

6-methyl-2,3-dihydroindol-5-one (PubChem CID 130030815) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 6-methyl-2,3-dihydroindol-5-one.

Molecular Properties

Compound Name6-methyl-2,3-dihydroindol-5-one
PubChem CID130030815
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name6-methyl-2,3-dihydroindol-5-one
SMILESCC1=CC2=NCCC2=CC1=O
InChIInChI=1S/C9H9NO/c1-6-4-8-7(2-3-10-8)5-9(6)11/h4-5H,2-3H2,1H3
InChIKeyGEJLSJTZRQARHG-UHFFFAOYSA-N
XLogP1.29
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Related Compounds

2,6-Dimethyl-3-tritio-2,3-dihydroindol-5-one
CID 90672886
2,6-Dimethyl-2,3-dihydroindol-5-one
CID 12515908
2,3-Dihydro-indol-5-one
CID 24975429
2,3,6-Trimethyl-4-methyliminocyclohexa-2,5-dien-1-one
CID 57553800
4,6-dimethyl-2H-pyridin-3-one
CID 58181117
2,6-Dimethyl-4-methyliminocyclohexa-2,5-dien-1-one;yttrium
CID 58194049
2,3-dimethyl-3,6-dihydro-2H-indol-6-id-5-one;yttrium
CID 59758692
3,4-dihydro-2H-quinolin-6-one
CID 69967126
1-(6-Methyl-2,3-dihydropyridin-5-yl)ethanone
CID 89404439
(E)-4-methyl-2-methyliminohex-4-en-3-one
CID 123666831
1-(2H-indol-3-yl)-2-methylpropan-1-one
CID 125301746
1-(5-methyl-2-propyl-2H-pyrrol-4-yl)ethanone
CID 137467935

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3-dihydroindol-5-one?
The IUPAC name of 6-methyl-2,3-dihydroindol-5-one (CID 130030815) is 6-methyl-2,3-dihydroindol-5-one.
What is the SMILES notation for 6-methyl-2,3-dihydroindol-5-one?
The canonical SMILES for 6-methyl-2,3-dihydroindol-5-one is CC1=CC2=NCCC2=CC1=O.
What is the InChIKey of 6-methyl-2,3-dihydroindol-5-one?
The InChIKey is GEJLSJTZRQARHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-6-4-8-7(2-3-10-8)5-9(6)11/h4-5H,2-3H2,1H3.
What are the key properties of 6-methyl-2,3-dihydroindol-5-one?
6-methyl-2,3-dihydroindol-5-one has a molecular weight of 147.18 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3-dihydroindol-5-one is sourced from PubChem (CID 130030815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).