5-methoxy-2-pyrrolidin-3-ylisoindole-1,3-dione

C13H14N2O3 — CID 117031880

IUPAC5-methoxy-2-pyrrolidin-3-ylisoindole-1,3-dione
SMILESCOc1ccc2c(c1)C(=O)N(C1CCNC1)C2=O
InChIInChI=1S/C13H14N2O3/c1-18-9-2-3-10-11(6-9)13(17)15(12(10)16)8-4-5-14-7-8/h2-3,6,8,14H,4-5,7H2,1H3
InChIKeyQLQQVEHUFWKVSY-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.65
Rot. Bonds2

About 5-methoxy-2-pyrrolidin-3-ylisoindole-1,3-dione

5-methoxy-2-pyrrolidin-3-ylisoindole-1,3-dione (PubChem CID 117031880) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-methoxy-2-pyrrolidin-3-ylisoindole-1,3-dione.

Molecular Properties

Compound Name5-methoxy-2-pyrrolidin-3-ylisoindole-1,3-dione
PubChem CID117031880
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-methoxy-2-pyrrolidin-3-ylisoindole-1,3-dione
SMILESCOc1ccc2c(c1)C(=O)N(C1CCNC1)C2=O
InChIInChI=1S/C13H14N2O3/c1-18-9-2-3-10-11(6-9)13(17)15(12(10)16)8-4-5-14-7-8/h2-3,6,8,14H,4-5,7H2,1H3
InChIKeyQLQQVEHUFWKVSY-UHFFFAOYSA-N
XLogP0.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262819
2-(azepan-4-yl)-5-methylisoindole-1,3-dione
CID 107174334
5-methoxy-1-piperidin-4-yl-3H-indol-2-one
CID 84632312
4-(3-methoxyphenyl)-1-pyrrolidin-3-ylimidazolidin-2-one
CID 116978989
1-[(6-methoxynaphthalen-2-yl)methyl]-4-[(3S)-pyrrolidin-3-yl]piperazine
CID 125118230
9-[4-(4-methoxyphenoxy)phenyl]sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719776
5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 22928792
2-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)isoindole-1,3-dione;hydrochloride
CID 122444716
7-methoxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione
CID 22923350
13-methoxy-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
CID 162852444
2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686260
5-(4-methoxyphenyl)-3-piperidin-4-yl-1H-imidazol-2-one
CID 18321473

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-pyrrolidin-3-ylisoindole-1,3-dione?
The IUPAC name of 5-methoxy-2-pyrrolidin-3-ylisoindole-1,3-dione (CID 117031880) is 5-methoxy-2-pyrrolidin-3-ylisoindole-1,3-dione.
What is the SMILES notation for 5-methoxy-2-pyrrolidin-3-ylisoindole-1,3-dione?
The canonical SMILES for 5-methoxy-2-pyrrolidin-3-ylisoindole-1,3-dione is COc1ccc2c(c1)C(=O)N(C1CCNC1)C2=O.
What is the InChIKey of 5-methoxy-2-pyrrolidin-3-ylisoindole-1,3-dione?
The InChIKey is QLQQVEHUFWKVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-18-9-2-3-10-11(6-9)13(17)15(12(10)16)8-4-5-14-7-8/h2-3,6,8,14H,4-5,7H2,1H3.
What are the key properties of 5-methoxy-2-pyrrolidin-3-ylisoindole-1,3-dione?
5-methoxy-2-pyrrolidin-3-ylisoindole-1,3-dione has a molecular weight of 246.27 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-pyrrolidin-3-ylisoindole-1,3-dione is sourced from PubChem (CID 117031880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).