(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-6-methyl-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbaldehyde

C19H19N3O5 — CID 170362070

IUPAC(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-6-methyl-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbaldehyde
SMILESCc1cc2c(cc1N1CC[C@@H](C=O)C1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C19H19N3O5/c1-10-6-12-13(7-15(10)21-5-4-11(8-21)9-23)19(27)22(18(12)26)14-2-3-16(24)20-17(14)25/h6-7,9,11,14H,2-5,8H2,1H3,(H,20,24,25)/t11-,14?/m1/s1
InChIKeyUVBXLBPTNQFHPY-YNODCEANSA-N
MW369.38 g/mol
LogP0.42
Rot. Bonds3

About (3R)-1-[2-(2,6-dioxopiperidin-3-yl)-6-methyl-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbaldehyde

(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-6-methyl-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbaldehyde (PubChem CID 170362070) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is (3R)-1-[2-(2,6-dioxopiperidin-3-yl)-6-methyl-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbaldehyde.

Molecular Properties

Compound Name(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-6-methyl-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbaldehyde
PubChem CID170362070
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-6-methyl-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbaldehyde
SMILESCc1cc2c(cc1N1CC[C@@H](C=O)C1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C19H19N3O5/c1-10-6-12-13(7-15(10)21-5-4-11(8-21)9-23)19(27)22(18(12)26)14-2-3-16(24)20-17(14)25/h6-7,9,11,14H,2-5,8H2,1H3,(H,20,24,25)/t11-,14?/m1/s1
InChIKeyUVBXLBPTNQFHPY-YNODCEANSA-N
XLogP0.42
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbaldehyde
CID 146485017
1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbaldehyde;ethane;2-methoxy-2-methylpropane
CID 166113555
2-(2,6-dioxopiperidin-3-yl)-5-methyl-6-propan-2-ylisoindole-1,3-dione
CID 178005064
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[(3S)-3-methylpiperazin-1-yl]isoindole-1,3-dione;hydrochloride
CID 171705556
2-[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]acetic acid
CID 171158239
2-[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]oxyacetaldehyde
CID 171481270
1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidine-4-carboxylic acid
CID 166545874
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
2-(2,6-dioxopiperidin-3-yl)-6-methyl-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione
CID 170402784
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)isoindole-1,3-dione
CID 163269333
2-[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]acetic acid
CID 171158226
2-(2,6-dioxopiperidin-3-yl)-5-(3-iodopyrrolidin-1-yl)isoindole-1,3-dione
CID 155177559

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(2,6-dioxopiperidin-3-yl)-6-methyl-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbaldehyde?
The IUPAC name of (3R)-1-[2-(2,6-dioxopiperidin-3-yl)-6-methyl-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbaldehyde (CID 170362070) is (3R)-1-[2-(2,6-dioxopiperidin-3-yl)-6-methyl-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbaldehyde.
What is the SMILES notation for (3R)-1-[2-(2,6-dioxopiperidin-3-yl)-6-methyl-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbaldehyde?
The canonical SMILES for (3R)-1-[2-(2,6-dioxopiperidin-3-yl)-6-methyl-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbaldehyde is Cc1cc2c(cc1N1CC[C@@H](C=O)C1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of (3R)-1-[2-(2,6-dioxopiperidin-3-yl)-6-methyl-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbaldehyde?
The InChIKey is UVBXLBPTNQFHPY-YNODCEANSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-10-6-12-13(7-15(10)21-5-4-11(8-21)9-23)19(27)22(18(12)26)14-2-3-16(24)20-17(14)25/h6-7,9,11,14H,2-5,8H2,1H3,(H,20,24,25)/t11-,14?/m1/s1.
What are the key properties of (3R)-1-[2-(2,6-dioxopiperidin-3-yl)-6-methyl-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbaldehyde?
(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-6-methyl-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbaldehyde has a molecular weight of 369.38 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(2,6-dioxopiperidin-3-yl)-6-methyl-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbaldehyde is sourced from PubChem (CID 170362070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).