methyl 1-[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]-2,3-dihydroindole-5-carboxylate

C24H18N2O6 — CID 55515344

IUPACmethyl 1-[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C24H18N2O6/c1-31-24(30)16-5-7-20-14(11-16)8-9-25(20)21(27)15-4-6-18-19(12-15)23(29)26(22(18)28)13-17-3-2-10-32-17/h2-7,10-12H,8-9,13H2,1H3
InChIKeyNKOUOBOOSSCBJQ-UHFFFAOYSA-N
MW430.42 g/mol
LogP3.07
Rot. Bonds4

About methyl 1-[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]-2,3-dihydroindole-5-carboxylate

methyl 1-[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]-2,3-dihydroindole-5-carboxylate (PubChem CID 55515344) has the molecular formula C24H18N2O6 and a molecular weight of 430.42 g/mol. Its IUPAC name is methyl 1-[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]-2,3-dihydroindole-5-carboxylate
PubChem CID55515344
Molecular FormulaC24H18N2O6
Molecular Weight430.42 g/mol
Exact Mass430.12
IUPAC Namemethyl 1-[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C24H18N2O6/c1-31-24(30)16-5-7-20-14(11-16)8-9-25(20)21(27)15-4-6-18-19(12-15)23(29)26(22(18)28)13-17-3-2-10-32-17/h2-7,10-12H,8-9,13H2,1H3
InChIKeyNKOUOBOOSSCBJQ-UHFFFAOYSA-N
XLogP3.07
TPSA97.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 1-[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]-2,3-dihydroindole-5-carboxylate with MolForge

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Related Compounds

methyl 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-2,3-dihydroindole-5-carboxylate
CID 55515343
2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 887709
2-(furan-2-ylmethyl)-5-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)isoindole-1,3-dione
CID 24541454
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
methyl 4-[2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]ethyl]benzoate
CID 55513783
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 2491106
(3-carbamoylphenyl) 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 55828982
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(furan-2-ylmethyl)isoindole-1,3-dione
CID 31307418
(2-ethoxy-2-oxoethyl) 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 27041622
1-phenylethyl 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 16511063
N-tert-butyl-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 839536
(2-methoxyphenyl)methyl 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 7738829

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]-2,3-dihydroindole-5-carboxylate?
The IUPAC name of methyl 1-[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]-2,3-dihydroindole-5-carboxylate (CID 55515344) is methyl 1-[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for methyl 1-[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for methyl 1-[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]-2,3-dihydroindole-5-carboxylate is COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O.
What is the InChIKey of methyl 1-[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]-2,3-dihydroindole-5-carboxylate?
The InChIKey is NKOUOBOOSSCBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O6/c1-31-24(30)16-5-7-20-14(11-16)8-9-25(20)21(27)15-4-6-18-19(12-15)23(29)26(22(18)28)13-17-3-2-10-32-17/h2-7,10-12H,8-9,13H2,1H3.
What are the key properties of methyl 1-[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]-2,3-dihydroindole-5-carboxylate?
methyl 1-[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]-2,3-dihydroindole-5-carboxylate has a molecular weight of 430.42 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 55515344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).