3-(1,3-dihydroisoindol-2-yl)-6-methylidenepiperidin-2-one

C14H16N2O — CID 170009468

IUPAC3-(1,3-dihydroisoindol-2-yl)-6-methylidenepiperidin-2-one
SMILESC=C1CCC(N2Cc3ccccc3C2)C(=O)N1
InChIInChI=1S/C14H16N2O/c1-10-6-7-13(14(17)15-10)16-8-11-4-2-3-5-12(11)9-16/h2-5,13H,1,6-9H2,(H,15,17)
InChIKeyVXCMVHJLAVIORX-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.79
Rot. Bonds1

About 3-(1,3-dihydroisoindol-2-yl)-6-methylidenepiperidin-2-one

3-(1,3-dihydroisoindol-2-yl)-6-methylidenepiperidin-2-one (PubChem CID 170009468) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(1,3-dihydroisoindol-2-yl)-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Name3-(1,3-dihydroisoindol-2-yl)-6-methylidenepiperidin-2-one
PubChem CID170009468
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name3-(1,3-dihydroisoindol-2-yl)-6-methylidenepiperidin-2-one
SMILESC=C1CCC(N2Cc3ccccc3C2)C(=O)N1
InChIInChI=1S/C14H16N2O/c1-10-6-7-13(14(17)15-10)16-8-11-4-2-3-5-12(11)9-16/h2-5,13H,1,6-9H2,(H,15,17)
InChIKeyVXCMVHJLAVIORX-UHFFFAOYSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1,3-dihydroisoindol-2-yl)-6-methylidenepiperidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione
CID 165027847
3-(7-tert-butyl-2,3-dihydroindol-1-yl)-6-methylidenepiperidin-2-one
CID 170079417
4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 145202026
6-ethyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 167146482
2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile
CID 159442512
3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 130335320
5-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 118527125
5-hydroxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 142596962
3-(3-oxopiperidin-1-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313630
3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 171058791
5-acetyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 165102713
6a,7,8,11-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,9-dione
CID 11820613

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-6-methylidenepiperidin-2-one?
The IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-6-methylidenepiperidin-2-one (CID 170009468) is 3-(1,3-dihydroisoindol-2-yl)-6-methylidenepiperidin-2-one.
What is the SMILES notation for 3-(1,3-dihydroisoindol-2-yl)-6-methylidenepiperidin-2-one?
The canonical SMILES for 3-(1,3-dihydroisoindol-2-yl)-6-methylidenepiperidin-2-one is C=C1CCC(N2Cc3ccccc3C2)C(=O)N1.
What is the InChIKey of 3-(1,3-dihydroisoindol-2-yl)-6-methylidenepiperidin-2-one?
The InChIKey is VXCMVHJLAVIORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-6-7-13(14(17)15-10)16-8-11-4-2-3-5-12(11)9-16/h2-5,13H,1,6-9H2,(H,15,17).
What are the key properties of 3-(1,3-dihydroisoindol-2-yl)-6-methylidenepiperidin-2-one?
3-(1,3-dihydroisoindol-2-yl)-6-methylidenepiperidin-2-one has a molecular weight of 228.29 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroisoindol-2-yl)-6-methylidenepiperidin-2-one is sourced from PubChem (CID 170009468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).