3-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dioxopyrrolidin-3-yl]-1-ethylpyrrolidine-2,5-dione;1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrole-2,5-dione;1-ethylpyrrole-2,5-dione

C36H46N4O8 — CID 157390306

IUPAC3-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dioxopyrrolidin-3-yl]-1-ethylpyrrolidine-2,5-dione;1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrole-2,5-dione;1-ethylpyrrole-2,5-dione
SMILESCCN1C(=O)C=CC1=O.CCN1C(=O)CC(C2CC(=O)N(CC3CC4CCC3C4)C2=O)C1=O.O=C1C=CC(=O)N1CC1CC2CCC1C2
InChIInChI=1S/C18H24N2O4.C12H15NO2.C6H7NO2/c1-2-19-15(21)7-13(17(19)23)14-8-16(22)20(18(14)24)9-12-6-10-3-4-11(12)5-10;14-11-3-4-12(15)13(11)7-10-6-8-1-2-9(10)5-8;1-2-7-5(8)3-4-6(7)9/h10-14H,2-9H2,1H3;3-4,8-10H,1-2,5-7H2;3-4H,2H2,1H3
InChIKeyBLXSXUDNLVPNTO-UHFFFAOYSA-N
MW662.78 g/mol
LogP2.47
Rot. Bonds7

About 3-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dioxopyrrolidin-3-yl]-1-ethylpyrrolidine-2,5-dione;1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrole-2,5-dione;1-ethylpyrrole-2,5-dione

3-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dioxopyrrolidin-3-yl]-1-ethylpyrrolidine-2,5-dione;1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrole-2,5-dione;1-ethylpyrrole-2,5-dione (PubChem CID 157390306) has the molecular formula C36H46N4O8 and a molecular weight of 662.78 g/mol. Its IUPAC name is 3-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dioxopyrrolidin-3-yl]-1-ethylpyrrolidine-2,5-dione;1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrole-2,5-dione;1-ethylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dioxopyrrolidin-3-yl]-1-ethylpyrrolidine-2,5-dione;1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrole-2,5-dione;1-ethylpyrrole-2,5-dione
PubChem CID157390306
Molecular FormulaC36H46N4O8
Molecular Weight662.78 g/mol
Exact Mass662.33
IUPAC Name3-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dioxopyrrolidin-3-yl]-1-ethylpyrrolidine-2,5-dione;1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrole-2,5-dione;1-ethylpyrrole-2,5-dione
SMILESCCN1C(=O)C=CC1=O.CCN1C(=O)CC(C2CC(=O)N(CC3CC4CCC3C4)C2=O)C1=O.O=C1C=CC(=O)N1CC1CC2CCC1C2
InChIInChI=1S/C18H24N2O4.C12H15NO2.C6H7NO2/c1-2-19-15(21)7-13(17(19)23)14-8-16(22)20(18(14)24)9-12-6-10-3-4-11(12)5-10;14-11-3-4-12(15)13(11)7-10-6-8-1-2-9(10)5-8;1-2-7-5(8)3-4-6(7)9/h10-14H,2-9H2,1H3;3-4,8-10H,1-2,5-7H2;3-4H,2H2,1H3
InChIKeyBLXSXUDNLVPNTO-UHFFFAOYSA-N
XLogP2.47
TPSA149.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500662.78
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dioxopyrrolidin-3-yl]-1-ethylpyrrolidine-2,5-dione;1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrole-2,5-dione;1-ethylpyrrole-2,5-dione with MolForge

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Related Compounds

1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-2,5-dione
CID 98186318
1-(2-bicyclo[2.2.1]heptanylmethyl)-7-chloroindole-2,3-dione
CID 79563130
2-ethyl-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2954371
1-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-diazinane-2,4,6-trione
CID 112598016
1-(2-bicyclo[2.2.1]heptanylmethyl)-4,7-difluoroindole-2,3-dione
CID 83206691
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-6-fluoroindole-2,3-dione
CID 79563139
1-[(2-methylcyclopropyl)methyl]pyrrole-2,5-dione
CID 115586418
2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide
CID 42910279
3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylimidazolidin-4-one
CID 83257279
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-7-fluoroindole-2,3-dione
CID 79563135
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-5-propylimidazolidin-4-one
CID 83256941

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dioxopyrrolidin-3-yl]-1-ethylpyrrolidine-2,5-dione;1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrole-2,5-dione;1-ethylpyrrole-2,5-dione?
The IUPAC name of 3-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dioxopyrrolidin-3-yl]-1-ethylpyrrolidine-2,5-dione;1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrole-2,5-dione;1-ethylpyrrole-2,5-dione (CID 157390306) is 3-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dioxopyrrolidin-3-yl]-1-ethylpyrrolidine-2,5-dione;1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrole-2,5-dione;1-ethylpyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dioxopyrrolidin-3-yl]-1-ethylpyrrolidine-2,5-dione;1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrole-2,5-dione;1-ethylpyrrole-2,5-dione?
The canonical SMILES for 3-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dioxopyrrolidin-3-yl]-1-ethylpyrrolidine-2,5-dione;1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrole-2,5-dione;1-ethylpyrrole-2,5-dione is CCN1C(=O)C=CC1=O.CCN1C(=O)CC(C2CC(=O)N(CC3CC4CCC3C4)C2=O)C1=O.O=C1C=CC(=O)N1CC1CC2CCC1C2.
What is the InChIKey of 3-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dioxopyrrolidin-3-yl]-1-ethylpyrrolidine-2,5-dione;1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrole-2,5-dione;1-ethylpyrrole-2,5-dione?
The InChIKey is BLXSXUDNLVPNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4.C12H15NO2.C6H7NO2/c1-2-19-15(21)7-13(17(19)23)14-8-16(22)20(18(14)24)9-12-6-10-3-4-11(12)5-10;14-11-3-4-12(15)13(11)7-10-6-8-1-2-9(10)5-8;1-2-7-5(8)3-4-6(7)9/h10-14H,2-9H2,1H3;3-4,8-10H,1-2,5-7H2;3-4H,2H2,1H3.
What are the key properties of 3-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dioxopyrrolidin-3-yl]-1-ethylpyrrolidine-2,5-dione;1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrole-2,5-dione;1-ethylpyrrole-2,5-dione?
3-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dioxopyrrolidin-3-yl]-1-ethylpyrrolidine-2,5-dione;1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrole-2,5-dione;1-ethylpyrrole-2,5-dione has a molecular weight of 662.78 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dioxopyrrolidin-3-yl]-1-ethylpyrrolidine-2,5-dione;1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrole-2,5-dione;1-ethylpyrrole-2,5-dione is sourced from PubChem (CID 157390306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).