6-acetyl-3-methylidene-2-phenyl-5-prop-1-en-2-ylisoindol-1-one

C20H17NO2 — CID 88979792

IUPAC6-acetyl-3-methylidene-2-phenyl-5-prop-1-en-2-ylisoindol-1-one
SMILESC=C(C)c1cc2c(cc1C(C)=O)C(=O)N(c1ccccc1)C2=C
InChIInChI=1S/C20H17NO2/c1-12(2)16-10-17-13(3)21(15-8-6-5-7-9-15)20(23)19(17)11-18(16)14(4)22/h5-11H,1,3H2,2,4H3
InChIKeyDHNZSUDRWPDRSW-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.55
Rot. Bonds3

About 6-acetyl-3-methylidene-2-phenyl-5-prop-1-en-2-ylisoindol-1-one

6-acetyl-3-methylidene-2-phenyl-5-prop-1-en-2-ylisoindol-1-one (PubChem CID 88979792) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 6-acetyl-3-methylidene-2-phenyl-5-prop-1-en-2-ylisoindol-1-one.

Molecular Properties

Compound Name6-acetyl-3-methylidene-2-phenyl-5-prop-1-en-2-ylisoindol-1-one
PubChem CID88979792
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name6-acetyl-3-methylidene-2-phenyl-5-prop-1-en-2-ylisoindol-1-one
SMILESC=C(C)c1cc2c(cc1C(C)=O)C(=O)N(c1ccccc1)C2=C
InChIInChI=1S/C20H17NO2/c1-12(2)16-10-17-13(3)21(15-8-6-5-7-9-15)20(23)19(17)11-18(16)14(4)22/h5-11H,1,3H2,2,4H3
InChIKeyDHNZSUDRWPDRSW-UHFFFAOYSA-N
XLogP4.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-acetyl-3-methylidene-2-phenyl-5-prop-1-en-2-ylisoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3-methylidene-2-phenyl-5-prop-1-en-2-ylisoindol-1-one?
The IUPAC name of 6-acetyl-3-methylidene-2-phenyl-5-prop-1-en-2-ylisoindol-1-one (CID 88979792) is 6-acetyl-3-methylidene-2-phenyl-5-prop-1-en-2-ylisoindol-1-one.
What is the SMILES notation for 6-acetyl-3-methylidene-2-phenyl-5-prop-1-en-2-ylisoindol-1-one?
The canonical SMILES for 6-acetyl-3-methylidene-2-phenyl-5-prop-1-en-2-ylisoindol-1-one is C=C(C)c1cc2c(cc1C(C)=O)C(=O)N(c1ccccc1)C2=C.
What is the InChIKey of 6-acetyl-3-methylidene-2-phenyl-5-prop-1-en-2-ylisoindol-1-one?
The InChIKey is DHNZSUDRWPDRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-12(2)16-10-17-13(3)21(15-8-6-5-7-9-15)20(23)19(17)11-18(16)14(4)22/h5-11H,1,3H2,2,4H3.
What are the key properties of 6-acetyl-3-methylidene-2-phenyl-5-prop-1-en-2-ylisoindol-1-one?
6-acetyl-3-methylidene-2-phenyl-5-prop-1-en-2-ylisoindol-1-one has a molecular weight of 303.36 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3-methylidene-2-phenyl-5-prop-1-en-2-ylisoindol-1-one is sourced from PubChem (CID 88979792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).