7-hydroxy-3-methylidene-2-(2-methylidene-6-oxopiperidin-3-yl)isoindol-1-one

C15H14N2O3 — CID 163747297

IUPAC7-hydroxy-3-methylidene-2-(2-methylidene-6-oxopiperidin-3-yl)isoindol-1-one
SMILESC=C1NC(=O)CCC1N1C(=C)c2cccc(O)c2C1=O
InChIInChI=1S/C15H14N2O3/c1-8-11(6-7-13(19)16-8)17-9(2)10-4-3-5-12(18)14(10)15(17)20/h3-5,11,18H,1-2,6-7H2,(H,16,19)
InChIKeyLMYNARLAMILLKN-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.61
Rot. Bonds1

About 7-hydroxy-3-methylidene-2-(2-methylidene-6-oxopiperidin-3-yl)isoindol-1-one

7-hydroxy-3-methylidene-2-(2-methylidene-6-oxopiperidin-3-yl)isoindol-1-one (PubChem CID 163747297) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 7-hydroxy-3-methylidene-2-(2-methylidene-6-oxopiperidin-3-yl)isoindol-1-one.

Molecular Properties

Compound Name7-hydroxy-3-methylidene-2-(2-methylidene-6-oxopiperidin-3-yl)isoindol-1-one
PubChem CID163747297
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name7-hydroxy-3-methylidene-2-(2-methylidene-6-oxopiperidin-3-yl)isoindol-1-one
SMILESC=C1NC(=O)CCC1N1C(=C)c2cccc(O)c2C1=O
InChIInChI=1S/C15H14N2O3/c1-8-11(6-7-13(19)16-8)17-9(2)10-4-3-5-12(18)14(10)15(17)20/h3-5,11,18H,1-2,6-7H2,(H,16,19)
InChIKeyLMYNARLAMILLKN-UHFFFAOYSA-N
XLogP1.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-amino-3-methylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione
CID 154595724
2-(2,5-dioxopyrrolidin-3-yl)-4-hydroxyisoindole-1,3-dione
CID 170907328
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
4-cyclopentyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 146547456
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-sulfonamide
CID 154689780
[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxoisoindol-4-yl]methylcarbamic acid
CID 89387907
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanamine
CID 160955629
3-(5-methyl-1-methylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione
CID 170055897

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-methylidene-2-(2-methylidene-6-oxopiperidin-3-yl)isoindol-1-one?
The IUPAC name of 7-hydroxy-3-methylidene-2-(2-methylidene-6-oxopiperidin-3-yl)isoindol-1-one (CID 163747297) is 7-hydroxy-3-methylidene-2-(2-methylidene-6-oxopiperidin-3-yl)isoindol-1-one.
What is the SMILES notation for 7-hydroxy-3-methylidene-2-(2-methylidene-6-oxopiperidin-3-yl)isoindol-1-one?
The canonical SMILES for 7-hydroxy-3-methylidene-2-(2-methylidene-6-oxopiperidin-3-yl)isoindol-1-one is C=C1NC(=O)CCC1N1C(=C)c2cccc(O)c2C1=O.
What is the InChIKey of 7-hydroxy-3-methylidene-2-(2-methylidene-6-oxopiperidin-3-yl)isoindol-1-one?
The InChIKey is LMYNARLAMILLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-8-11(6-7-13(19)16-8)17-9(2)10-4-3-5-12(18)14(10)15(17)20/h3-5,11,18H,1-2,6-7H2,(H,16,19).
What are the key properties of 7-hydroxy-3-methylidene-2-(2-methylidene-6-oxopiperidin-3-yl)isoindol-1-one?
7-hydroxy-3-methylidene-2-(2-methylidene-6-oxopiperidin-3-yl)isoindol-1-one has a molecular weight of 270.29 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-methylidene-2-(2-methylidene-6-oxopiperidin-3-yl)isoindol-1-one is sourced from PubChem (CID 163747297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).