3-(1-hydroxy-3-oxo-6-pent-1-en-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione

C18H20N2O4 — CID 155036962

IUPAC3-(1-hydroxy-3-oxo-6-pent-1-en-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESC=C(CCC)c1ccc2c(c1)C(O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C18H20N2O4/c1-3-4-10(2)11-5-6-12-13(9-11)18(24)20(17(12)23)14-7-8-15(21)19-16(14)22/h5-6,9,14,18,24H,2-4,7-8H2,1H3,(H,19,21,22)
InChIKeyDSCCIEOGCZKHNC-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.75
Rot. Bonds4

About 3-(1-hydroxy-3-oxo-6-pent-1-en-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione

3-(1-hydroxy-3-oxo-6-pent-1-en-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 155036962) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-(1-hydroxy-3-oxo-6-pent-1-en-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(1-hydroxy-3-oxo-6-pent-1-en-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID155036962
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name3-(1-hydroxy-3-oxo-6-pent-1-en-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESC=C(CCC)c1ccc2c(c1)C(O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C18H20N2O4/c1-3-4-10(2)11-5-6-12-13(9-11)18(24)20(17(12)23)14-7-8-15(21)19-16(14)22/h5-6,9,14,18,24H,2-4,7-8H2,1H3,(H,19,21,22)
InChIKeyDSCCIEOGCZKHNC-UHFFFAOYSA-N
XLogP1.75
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(1-hydroxy-3-oxo-6-pent-1-en-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]hex-5-enyl]carbamate
CID 166993656
2-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-5-yl]acetamide
CID 166855541
3-(1-methyl-3-oxo-6-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163222672
3-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 164736225
3-[6-(8,8-dihydroxyoct-1-en-2-yl)-4-methyl-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione
CID 167015017
3-[6-(4-fluoro-1,5-dimethyl-1,3-dihydroisoindole-2-carbonyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 178033027
tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-1-carboxylate;tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1-oxo-3H-isoindol-5-yl]piperidine-1-carboxylate
CID 163765190
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]butanamide
CID 163906697
tert-butyl 3-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-5-yl]oxy]azetidine-1-carboxylate
CID 154670537
1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-5-yl]methyl]-3-naphthalen-1-ylurea
CID 145021910
benzyl 4-[2-(2,6-dioxopiperidin-3-yl)-3-methyl-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate
CID 155769118
2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindole-5-carboxylic acid
CID 170693844

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-3-oxo-6-pent-1-en-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(1-hydroxy-3-oxo-6-pent-1-en-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione (CID 155036962) is 3-(1-hydroxy-3-oxo-6-pent-1-en-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(1-hydroxy-3-oxo-6-pent-1-en-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(1-hydroxy-3-oxo-6-pent-1-en-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione is C=C(CCC)c1ccc2c(c1)C(O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-(1-hydroxy-3-oxo-6-pent-1-en-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is DSCCIEOGCZKHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-3-4-10(2)11-5-6-12-13(9-11)18(24)20(17(12)23)14-7-8-15(21)19-16(14)22/h5-6,9,14,18,24H,2-4,7-8H2,1H3,(H,19,21,22).
What are the key properties of 3-(1-hydroxy-3-oxo-6-pent-1-en-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(1-hydroxy-3-oxo-6-pent-1-en-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 328.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-3-oxo-6-pent-1-en-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 155036962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).