1-methyl-2H-indol-3-one

C9H9NO — CID 10125067

IUPAC1-methyl-2H-indol-3-one
SMILESCN1CC(=O)c2ccccc21
InChIInChI=1S/C9H9NO/c1-10-6-9(11)7-4-2-3-5-8(7)10/h2-5H,6H2,1H3
InChIKeyDYPFVQQCYZKNMK-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.32
Rot. Bonds

About 1-methyl-2H-indol-3-one

1-methyl-2H-indol-3-one (PubChem CID 10125067) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 1-methyl-2H-indol-3-one.

Molecular Properties

Compound Name1-methyl-2H-indol-3-one
PubChem CID10125067
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name1-methyl-2H-indol-3-one
SMILESCN1CC(=O)c2ccccc21
InChIInChI=1S/C9H9NO/c1-10-6-9(11)7-4-2-3-5-8(7)10/h2-5H,6H2,1H3
InChIKeyDYPFVQQCYZKNMK-UHFFFAOYSA-N
XLogP1.32
TPSA20.31 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 ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2H-indol-3-one?
The IUPAC name of 1-methyl-2H-indol-3-one (CID 10125067) is 1-methyl-2H-indol-3-one.
What is the SMILES notation for 1-methyl-2H-indol-3-one?
The canonical SMILES for 1-methyl-2H-indol-3-one is CN1CC(=O)c2ccccc21.
What is the InChIKey of 1-methyl-2H-indol-3-one?
The InChIKey is DYPFVQQCYZKNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-10-6-9(11)7-4-2-3-5-8(7)10/h2-5H,6H2,1H3.
What are the key properties of 1-methyl-2H-indol-3-one?
1-methyl-2H-indol-3-one has a molecular weight of 147.18 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2H-indol-3-one is sourced from PubChem (CID 10125067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).