2-(6-methylidene-2-oxopiperidin-3-yl)-5,6-dihydro-3H-isoindol-1-one

C14H16N2O2 — CID 89234726

IUPAC2-(6-methylidene-2-oxopiperidin-3-yl)-5,6-dihydro-3H-isoindol-1-one
SMILESC=C1CCC(N2CC3=CCCC=C3C2=O)C(=O)N1
InChIInChI=1S/C14H16N2O2/c1-9-6-7-12(13(17)15-9)16-8-10-4-2-3-5-11(10)14(16)18/h4-5,12H,1-3,6-8H2,(H,15,17)
InChIKeyFPPLGDILVYBYLS-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.27
Rot. Bonds1

About 2-(6-methylidene-2-oxopiperidin-3-yl)-5,6-dihydro-3H-isoindol-1-one

2-(6-methylidene-2-oxopiperidin-3-yl)-5,6-dihydro-3H-isoindol-1-one (PubChem CID 89234726) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(6-methylidene-2-oxopiperidin-3-yl)-5,6-dihydro-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(6-methylidene-2-oxopiperidin-3-yl)-5,6-dihydro-3H-isoindol-1-one
PubChem CID89234726
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(6-methylidene-2-oxopiperidin-3-yl)-5,6-dihydro-3H-isoindol-1-one
SMILESC=C1CCC(N2CC3=CCCC=C3C2=O)C(=O)N1
InChIInChI=1S/C14H16N2O2/c1-9-6-7-12(13(17)15-9)16-8-10-4-2-3-5-11(10)14(16)18/h4-5,12H,1-3,6-8H2,(H,15,17)
InChIKeyFPPLGDILVYBYLS-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylidene-2-oxopiperidin-3-yl)-5,6-dihydro-3H-isoindol-1-one?
The IUPAC name of 2-(6-methylidene-2-oxopiperidin-3-yl)-5,6-dihydro-3H-isoindol-1-one (CID 89234726) is 2-(6-methylidene-2-oxopiperidin-3-yl)-5,6-dihydro-3H-isoindol-1-one.
What is the SMILES notation for 2-(6-methylidene-2-oxopiperidin-3-yl)-5,6-dihydro-3H-isoindol-1-one?
The canonical SMILES for 2-(6-methylidene-2-oxopiperidin-3-yl)-5,6-dihydro-3H-isoindol-1-one is C=C1CCC(N2CC3=CCCC=C3C2=O)C(=O)N1.
What is the InChIKey of 2-(6-methylidene-2-oxopiperidin-3-yl)-5,6-dihydro-3H-isoindol-1-one?
The InChIKey is FPPLGDILVYBYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-6-7-12(13(17)15-9)16-8-10-4-2-3-5-11(10)14(16)18/h4-5,12H,1-3,6-8H2,(H,15,17).
What are the key properties of 2-(6-methylidene-2-oxopiperidin-3-yl)-5,6-dihydro-3H-isoindol-1-one?
2-(6-methylidene-2-oxopiperidin-3-yl)-5,6-dihydro-3H-isoindol-1-one has a molecular weight of 244.29 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylidene-2-oxopiperidin-3-yl)-5,6-dihydro-3H-isoindol-1-one is sourced from PubChem (CID 89234726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).