2-methyl-3-methyliminoinden-1-one

C11H11NO — CID 142055445

IUPAC2-methyl-3-methyliminoinden-1-one
SMILESC/N=C1/c2ccccc2C(=O)C1C
InChIInChI=1S/C11H11NO/c1-7-10(12-2)8-5-3-4-6-9(8)11(7)13/h3-7H,1-2H3/b12-10+
InChIKeyMMWZJQUZHGPDBY-ZRDIBKRKSA-N
MW173.22 g/mol
LogP1.94
Rot. Bonds

About 2-methyl-3-methyliminoinden-1-one

2-methyl-3-methyliminoinden-1-one (PubChem CID 142055445) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-methyl-3-methyliminoinden-1-one.

Molecular Properties

Compound Name2-methyl-3-methyliminoinden-1-one
PubChem CID142055445
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name2-methyl-3-methyliminoinden-1-one
SMILESC/N=C1/c2ccccc2C(=O)C1C
InChIInChI=1S/C11H11NO/c1-7-10(12-2)8-5-3-4-6-9(8)11(7)13/h3-7H,1-2H3/b12-10+
InChIKeyMMWZJQUZHGPDBY-ZRDIBKRKSA-N
XLogP1.94
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methyliminoinden-1-one?
The IUPAC name of 2-methyl-3-methyliminoinden-1-one (CID 142055445) is 2-methyl-3-methyliminoinden-1-one.
What is the SMILES notation for 2-methyl-3-methyliminoinden-1-one?
The canonical SMILES for 2-methyl-3-methyliminoinden-1-one is C/N=C1/c2ccccc2C(=O)C1C.
What is the InChIKey of 2-methyl-3-methyliminoinden-1-one?
The InChIKey is MMWZJQUZHGPDBY-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H11NO/c1-7-10(12-2)8-5-3-4-6-9(8)11(7)13/h3-7H,1-2H3/b12-10+.
What are the key properties of 2-methyl-3-methyliminoinden-1-one?
2-methyl-3-methyliminoinden-1-one has a molecular weight of 173.22 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methyliminoinden-1-one is sourced from PubChem (CID 142055445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).