3-methylideneisoindol-1-one

C9H7NO — CID 14057233

IUPAC3-methylideneisoindol-1-one
SMILESC=C1NC(=O)c2ccccc21
InChIInChI=1S/C9H7NO/c1-6-7-4-2-3-5-8(7)9(11)10-6/h2-5H,1H2,(H,10,11)
InChIKeyWOASUPWBFMXCNJ-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.40
Rot. Bonds

About 3-methylideneisoindol-1-one

3-methylideneisoindol-1-one (PubChem CID 14057233) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 3-methylideneisoindol-1-one.

Molecular Properties

Compound Name3-methylideneisoindol-1-one
PubChem CID14057233
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name3-methylideneisoindol-1-one
SMILESC=C1NC(=O)c2ccccc21
InChIInChI=1S/C9H7NO/c1-6-7-4-2-3-5-8(7)9(11)10-6/h2-5H,1H2,(H,10,11)
InChIKeyWOASUPWBFMXCNJ-UHFFFAOYSA-N
XLogP1.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylideneisoindol-1-one?
The IUPAC name of 3-methylideneisoindol-1-one (CID 14057233) is 3-methylideneisoindol-1-one.
What is the SMILES notation for 3-methylideneisoindol-1-one?
The canonical SMILES for 3-methylideneisoindol-1-one is C=C1NC(=O)c2ccccc21.
What is the InChIKey of 3-methylideneisoindol-1-one?
The InChIKey is WOASUPWBFMXCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c1-6-7-4-2-3-5-8(7)9(11)10-6/h2-5H,1H2,(H,10,11).
What are the key properties of 3-methylideneisoindol-1-one?
3-methylideneisoindol-1-one has a molecular weight of 145.16 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylideneisoindol-1-one is sourced from PubChem (CID 14057233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).