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

C16H16N2O3 — CID 165102713

IUPAC5-acetyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
SMILESC=C1CCC(N2Cc3cc(C(C)=O)ccc3C2=O)C(=O)N1
InChIInChI=1S/C16H16N2O3/c1-9-3-6-14(15(20)17-9)18-8-12-7-11(10(2)19)4-5-13(12)16(18)21/h4-5,7,14H,1,3,6,8H2,2H3,(H,17,20)
InChIKeyZASKJGMADGRYST-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.64
Rot. Bonds2

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

5-acetyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one (PubChem CID 165102713) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 5-acetyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name5-acetyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
PubChem CID165102713
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name5-acetyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
SMILESC=C1CCC(N2Cc3cc(C(C)=O)ccc3C2=O)C(=O)N1
InChIInChI=1S/C16H16N2O3/c1-9-3-6-14(15(20)17-9)18-8-12-7-11(10(2)19)4-5-13(12)16(18)21/h4-5,7,14H,1,3,6,8H2,2H3,(H,17,20)
InChIKeyZASKJGMADGRYST-UHFFFAOYSA-N
XLogP1.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methoxyethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 156729357
2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile
CID 159442512
3-[6-(2-methylpropanoyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177251287
2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-methylphenyl)-3-oxobutyl]-3H-isoindol-1-one
CID 157340560
5-[4-(2-hydroxy-4,5-dimethylphenyl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 158701068
6-ethyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 167146482
3-[6-(2,5-dihydropyrrole-1-carbonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146150009
3-[6-(4-chlorobenzoyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177251278
2-(2,6-dioxopiperidin-3-yl)-N-(3-methylbutan-2-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155338775
5-tert-butyl-6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one
CID 157204603
2-(4-tert-butylphenyl)-2,2-difluoro-N-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]acetamide
CID 118653799
4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-oxobutyl]cyclohexane-1-carboxamide
CID 158644809

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
The IUPAC name of 5-acetyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one (CID 165102713) is 5-acetyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one.
What is the SMILES notation for 5-acetyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
The canonical SMILES for 5-acetyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one is C=C1CCC(N2Cc3cc(C(C)=O)ccc3C2=O)C(=O)N1.
What is the InChIKey of 5-acetyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
The InChIKey is ZASKJGMADGRYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-9-3-6-14(15(20)17-9)18-8-12-7-11(10(2)19)4-5-13(12)16(18)21/h4-5,7,14H,1,3,6,8H2,2H3,(H,17,20).
What are the key properties of 5-acetyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
5-acetyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one has a molecular weight of 284.31 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one is sourced from PubChem (CID 165102713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).