4-methyl-3-methylideneisoindol-1-one

C10H9NO — CID 89017689

IUPAC4-methyl-3-methylideneisoindol-1-one
SMILESC=C1NC(=O)c2cccc(C)c21
InChIInChI=1S/C10H9NO/c1-6-4-3-5-8-9(6)7(2)11-10(8)12/h3-5H,2H2,1H3,(H,11,12)
InChIKeyGSZOCAKPRNKENV-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.71
Rot. Bonds

About 4-methyl-3-methylideneisoindol-1-one

4-methyl-3-methylideneisoindol-1-one (PubChem CID 89017689) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 4-methyl-3-methylideneisoindol-1-one.

Molecular Properties

Compound Name4-methyl-3-methylideneisoindol-1-one
PubChem CID89017689
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name4-methyl-3-methylideneisoindol-1-one
SMILESC=C1NC(=O)c2cccc(C)c21
InChIInChI=1S/C10H9NO/c1-6-4-3-5-8-9(6)7(2)11-10(8)12/h3-5H,2H2,1H3,(H,11,12)
InChIKeyGSZOCAKPRNKENV-UHFFFAOYSA-N
XLogP1.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-methylideneisoindol-1-one?
The IUPAC name of 4-methyl-3-methylideneisoindol-1-one (CID 89017689) is 4-methyl-3-methylideneisoindol-1-one.
What is the SMILES notation for 4-methyl-3-methylideneisoindol-1-one?
The canonical SMILES for 4-methyl-3-methylideneisoindol-1-one is C=C1NC(=O)c2cccc(C)c21.
What is the InChIKey of 4-methyl-3-methylideneisoindol-1-one?
The InChIKey is GSZOCAKPRNKENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-6-4-3-5-8-9(6)7(2)11-10(8)12/h3-5H,2H2,1H3,(H,11,12).
What are the key properties of 4-methyl-3-methylideneisoindol-1-one?
4-methyl-3-methylideneisoindol-1-one has a molecular weight of 159.19 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylideneisoindol-1-one is sourced from PubChem (CID 89017689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).