4-[5-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-4-methylpentyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;1-[20-(2,5-dioxopyrrol-1-yl)-10,11-dioctylicosyl]pyrrole-2,5-dione;1-[12-(2,5-dioxopyrrol-1-yl)dodecyl]pyrrole-2,5-dione;1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione;bis(4-ethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione);bis(1-ethylpyrrole-2,5-dione);1-[(E)-octadec-8-enyl]pyrrole-2,5-dione

C158H225N13O26 — CID 160969136

IUPAC4-[5-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-4-methylpentyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;1-[20-(2,5-dioxopyrrol-1-yl)-10,11-dioctylicosyl]pyrrole-2,5-dione;1-[12-(2,5-dioxopyrrol-1-yl)dodecyl]pyrrole-2,5-dione;1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione;bis(4-ethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione);bis(1-ethylpyrrole-2,5-dione);1-[(E)-octadec-8-enyl]pyrrole-2,5-dione
SMILESCC(CCCN1C(=O)C2C3C=CC(C3)C2C1=O)CN1C(=O)C2C3C=CC(C3)C2C1=O.CC(CCCN1C(=O)C=CC1=O)CN1C(=O)C=CC1=O.CCCCCCCCC(CCCCCCCCCN1C(=O)C=CC1=O)C(CCCCCCCC)CCCCCCCCCN1C(=O)C=CC1=O.CCCCCCCCC/C=C/CCCCCCCN1C(=O)C=CC1=O.CCN1C(=O)C2C3C=CC(C3)C2C1=O.CCN1C(=O)C2C3C=CC(C3)C2C1=O.CCN1C(=O)C=CC1=O.CCN1C(=O)C=CC1=O.O=C1C=CC(=O)N1CCCCCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C44H76N2O4.C24H28N2O4.C22H37NO2.C20H28N2O4.C14H16N2O4.2C11H13NO2.2C6H7NO2/c1-3-5-7-9-17-23-29-39(31-25-19-13-11-15-21-27-37-45-41(47)33-34-42(45)48)40(30-24-18-10-8-6-4-2)32-26-20-14-12-16-22-28-38-46-43(49)35-36-44(46)50;1-12(11-26-23(29)19-15-6-7-16(10-15)20(19)24(26)30)3-2-8-25-21(27)17-13-4-5-14(9-13)18(17)22(25)28;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21(24)18-19-22(23)25;23-17-11-12-18(24)21(17)15-9-7-5-3-1-2-4-6-8-10-16-22-19(25)13-14-20(22)26;1-10(9-16-13(19)6-7-14(16)20)3-2-8-15-11(17)4-5-12(15)18;2*1-2-12-10(13)8-6-3-4-7(5-6)9(8)11(12)14;2*1-2-7-5(8)3-4-6(7)9/h33-36,39-40H,3-32,37-38H2,1-2H3;4-7,12-20H,2-3,8-11H2,1H3;10-11,18-19H,2-9,12-17,20H2,1H3;11-14H,1-10,15-16H2;4-7,10H,2-3,8-9H2,1H3;2*3-4,6-9H,2,5H2,1H3;2*3-4H,2H2,1H3/b;;11-10+;;;;;;
InChIKeySYAJXMZGUAARIE-UJBJPVOZSA-N
MW2722.60 g/mol
LogP24.26
Rot. Bonds80

About 4-[5-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-4-methylpentyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;1-[20-(2,5-dioxopyrrol-1-yl)-10,11-dioctylicosyl]pyrrole-2,5-dione;1-[12-(2,5-dioxopyrrol-1-yl)dodecyl]pyrrole-2,5-dione;1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione;bis(4-ethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione);bis(1-ethylpyrrole-2,5-dione);1-[(E)-octadec-8-enyl]pyrrole-2,5-dione

4-[5-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-4-methylpentyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;1-[20-(2,5-dioxopyrrol-1-yl)-10,11-dioctylicosyl]pyrrole-2,5-dione;1-[12-(2,5-dioxopyrrol-1-yl)dodecyl]pyrrole-2,5-dione;1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione;bis(4-ethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione);bis(1-ethylpyrrole-2,5-dione);1-[(E)-octadec-8-enyl]pyrrole-2,5-dione (PubChem CID 160969136) has the molecular formula C158H225N13O26 and a molecular weight of 2722.60 g/mol. Its IUPAC name is 4-[5-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-4-methylpentyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;1-[20-(2,5-dioxopyrrol-1-yl)-10,11-dioctylicosyl]pyrrole-2,5-dione;1-[12-(2,5-dioxopyrrol-1-yl)dodecyl]pyrrole-2,5-dione;1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione;bis(4-ethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione);bis(1-ethylpyrrole-2,5-dione);1-[(E)-octadec-8-enyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name4-[5-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-4-methylpentyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;1-[20-(2,5-dioxopyrrol-1-yl)-10,11-dioctylicosyl]pyrrole-2,5-dione;1-[12-(2,5-dioxopyrrol-1-yl)dodecyl]pyrrole-2,5-dione;1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione;bis(4-ethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione);bis(1-ethylpyrrole-2,5-dione);1-[(E)-octadec-8-enyl]pyrrole-2,5-dione
PubChem CID160969136
Molecular FormulaC158H225N13O26
Molecular Weight2722.60 g/mol
Exact Mass2720.67
IUPAC Name4-[5-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-4-methylpentyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;1-[20-(2,5-dioxopyrrol-1-yl)-10,11-dioctylicosyl]pyrrole-2,5-dione;1-[12-(2,5-dioxopyrrol-1-yl)dodecyl]pyrrole-2,5-dione;1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione;bis(4-ethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione);bis(1-ethylpyrrole-2,5-dione);1-[(E)-octadec-8-enyl]pyrrole-2,5-dione
SMILESCC(CCCN1C(=O)C2C3C=CC(C3)C2C1=O)CN1C(=O)C2C3C=CC(C3)C2C1=O.CC(CCCN1C(=O)C=CC1=O)CN1C(=O)C=CC1=O.CCCCCCCCC(CCCCCCCCCN1C(=O)C=CC1=O)C(CCCCCCCC)CCCCCCCCCN1C(=O)C=CC1=O.CCCCCCCCC/C=C/CCCCCCCN1C(=O)C=CC1=O.CCN1C(=O)C2C3C=CC(C3)C2C1=O.CCN1C(=O)C2C3C=CC(C3)C2C1=O.CCN1C(=O)C=CC1=O.CCN1C(=O)C=CC1=O.O=C1C=CC(=O)N1CCCCCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C44H76N2O4.C24H28N2O4.C22H37NO2.C20H28N2O4.C14H16N2O4.2C11H13NO2.2C6H7NO2/c1-3-5-7-9-17-23-29-39(31-25-19-13-11-15-21-27-37-45-41(47)33-34-42(45)48)40(30-24-18-10-8-6-4-2)32-26-20-14-12-16-22-28-38-46-43(49)35-36-44(46)50;1-12(11-26-23(29)19-15-6-7-16(10-15)20(19)24(26)30)3-2-8-25-21(27)17-13-4-5-14(9-13)18(17)22(25)28;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21(24)18-19-22(23)25;23-17-11-12-18(24)21(17)15-9-7-5-3-1-2-4-6-8-10-16-22-19(25)13-14-20(22)26;1-10(9-16-13(19)6-7-14(16)20)3-2-8-15-11(17)4-5-12(15)18;2*1-2-12-10(13)8-6-3-4-7(5-6)9(8)11(12)14;2*1-2-7-5(8)3-4-6(7)9/h33-36,39-40H,3-32,37-38H2,1-2H3;4-7,12-20H,2-3,8-11H2,1H3;10-11,18-19H,2-9,12-17,20H2,1H3;11-14H,1-10,15-16H2;4-7,10H,2-3,8-9H2,1H3;2*3-4,6-9H,2,5H2,1H3;2*3-4H,2H2,1H3/b;;11-10+;;;;;;
InChIKeySYAJXMZGUAARIE-UJBJPVOZSA-N
XLogP24.26
TPSA485.94 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds80
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002722.60
LogP ≤ 524.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 4-[5-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-4-methylpentyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;1-[20-(2,5-dioxopyrrol-1-yl)-10,11-dioctylicosyl]pyrrole-2,5-dione;1-[12-(2,5-dioxopyrrol-1-yl)dodecyl]pyrrole-2,5-dione;1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione;bis(4-ethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione);bis(1-ethylpyrrole-2,5-dione);1-[(E)-octadec-8-enyl]pyrrole-2,5-dione with MolForge

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Related Compounds

4-[20-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-10,11-dioctylicosyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;4-[12-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)dodecyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;bis(1-ethyl-3-methylidenepyrrolidine-2,5-dione);3-methylidene-1-[12-(3-methylidene-2,5-dioxopyrrolidin-1-yl)dodecyl]pyrrolidine-2,5-dione;3-methylidene-1-[4-methyl-5-(3-methylidene-2,5-dioxopyrrolidin-1-yl)pentyl]pyrrolidine-2,5-dione;3-methylidene-1-[(E)-octadec-8-enyl]pyrrolidine-2,5-dione
CID 159561743
1-(2-methyldodecyl)pyrrole-2,5-dione
CID 129274681
1-(4-methyldodecyl)pyrrole-2,5-dione
CID 70003100
(1R,2S,6R,7S)-4-butyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 10632668
1-[5-[3-[(E)-dodec-1-enyl]-2,5-dihydroxypyrrol-1-yl]-4-methylpentyl]pyrrole-2,5-dione
CID 123545076
5-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-4-methylpentanoic acid
CID 82683361
(1R,2R,6R,7R)-4-ethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124711200
1-(9,10-dimethyloctadecyl)pyrrole-2,5-dione
CID 129182834
(1R,7S)-4-(2-ethylhexyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 25141463
(1S,2R,6R,7R)-4-[(2S)-2-ethylhexyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 99937750
4-(2-propylhexyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 141462977
1-[(14Z,17Z)-5-[(9Z,12Z)-octadeca-9,12-dienyl]-3-oxotricosa-14,17-dienyl]pyrrole-2,5-dione
CID 162061077

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-4-methylpentyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;1-[20-(2,5-dioxopyrrol-1-yl)-10,11-dioctylicosyl]pyrrole-2,5-dione;1-[12-(2,5-dioxopyrrol-1-yl)dodecyl]pyrrole-2,5-dione;1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione;bis(4-ethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione);bis(1-ethylpyrrole-2,5-dione);1-[(E)-octadec-8-enyl]pyrrole-2,5-dione?
The IUPAC name of 4-[5-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-4-methylpentyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;1-[20-(2,5-dioxopyrrol-1-yl)-10,11-dioctylicosyl]pyrrole-2,5-dione;1-[12-(2,5-dioxopyrrol-1-yl)dodecyl]pyrrole-2,5-dione;1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione;bis(4-ethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione);bis(1-ethylpyrrole-2,5-dione);1-[(E)-octadec-8-enyl]pyrrole-2,5-dione (CID 160969136) is 4-[5-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-4-methylpentyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;1-[20-(2,5-dioxopyrrol-1-yl)-10,11-dioctylicosyl]pyrrole-2,5-dione;1-[12-(2,5-dioxopyrrol-1-yl)dodecyl]pyrrole-2,5-dione;1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione;bis(4-ethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione);bis(1-ethylpyrrole-2,5-dione);1-[(E)-octadec-8-enyl]pyrrole-2,5-dione.
What is the SMILES notation for 4-[5-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-4-methylpentyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;1-[20-(2,5-dioxopyrrol-1-yl)-10,11-dioctylicosyl]pyrrole-2,5-dione;1-[12-(2,5-dioxopyrrol-1-yl)dodecyl]pyrrole-2,5-dione;1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione;bis(4-ethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione);bis(1-ethylpyrrole-2,5-dione);1-[(E)-octadec-8-enyl]pyrrole-2,5-dione?
The canonical SMILES for 4-[5-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-4-methylpentyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;1-[20-(2,5-dioxopyrrol-1-yl)-10,11-dioctylicosyl]pyrrole-2,5-dione;1-[12-(2,5-dioxopyrrol-1-yl)dodecyl]pyrrole-2,5-dione;1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione;bis(4-ethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione);bis(1-ethylpyrrole-2,5-dione);1-[(E)-octadec-8-enyl]pyrrole-2,5-dione is CC(CCCN1C(=O)C2C3C=CC(C3)C2C1=O)CN1C(=O)C2C3C=CC(C3)C2C1=O.CC(CCCN1C(=O)C=CC1=O)CN1C(=O)C=CC1=O.CCCCCCCCC(CCCCCCCCCN1C(=O)C=CC1=O)C(CCCCCCCC)CCCCCCCCCN1C(=O)C=CC1=O.CCCCCCCCC/C=C/CCCCCCCN1C(=O)C=CC1=O.CCN1C(=O)C2C3C=CC(C3)C2C1=O.CCN1C(=O)C2C3C=CC(C3)C2C1=O.CCN1C(=O)C=CC1=O.CCN1C(=O)C=CC1=O.O=C1C=CC(=O)N1CCCCCCCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 4-[5-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-4-methylpentyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;1-[20-(2,5-dioxopyrrol-1-yl)-10,11-dioctylicosyl]pyrrole-2,5-dione;1-[12-(2,5-dioxopyrrol-1-yl)dodecyl]pyrrole-2,5-dione;1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione;bis(4-ethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione);bis(1-ethylpyrrole-2,5-dione);1-[(E)-octadec-8-enyl]pyrrole-2,5-dione?
The InChIKey is SYAJXMZGUAARIE-UJBJPVOZSA-N. The full InChI is InChI=1S/C44H76N2O4.C24H28N2O4.C22H37NO2.C20H28N2O4.C14H16N2O4.2C11H13NO2.2C6H7NO2/c1-3-5-7-9-17-23-29-39(31-25-19-13-11-15-21-27-37-45-41(47)33-34-42(45)48)40(30-24-18-10-8-6-4-2)32-26-20-14-12-16-22-28-38-46-43(49)35-36-44(46)50;1-12(11-26-23(29)19-15-6-7-16(10-15)20(19)24(26)30)3-2-8-25-21(27)17-13-4-5-14(9-13)18(17)22(25)28;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21(24)18-19-22(23)25;23-17-11-12-18(24)21(17)15-9-7-5-3-1-2-4-6-8-10-16-22-19(25)13-14-20(22)26;1-10(9-16-13(19)6-7-14(16)20)3-2-8-15-11(17)4-5-12(15)18;2*1-2-12-10(13)8-6-3-4-7(5-6)9(8)11(12)14;2*1-2-7-5(8)3-4-6(7)9/h33-36,39-40H,3-32,37-38H2,1-2H3;4-7,12-20H,2-3,8-11H2,1H3;10-11,18-19H,2-9,12-17,20H2,1H3;11-14H,1-10,15-16H2;4-7,10H,2-3,8-9H2,1H3;2*3-4,6-9H,2,5H2,1H3;2*3-4H,2H2,1H3/b;;11-10+;;;;;;.
What are the key properties of 4-[5-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-4-methylpentyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;1-[20-(2,5-dioxopyrrol-1-yl)-10,11-dioctylicosyl]pyrrole-2,5-dione;1-[12-(2,5-dioxopyrrol-1-yl)dodecyl]pyrrole-2,5-dione;1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione;bis(4-ethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione);bis(1-ethylpyrrole-2,5-dione);1-[(E)-octadec-8-enyl]pyrrole-2,5-dione?
4-[5-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-4-methylpentyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;1-[20-(2,5-dioxopyrrol-1-yl)-10,11-dioctylicosyl]pyrrole-2,5-dione;1-[12-(2,5-dioxopyrrol-1-yl)dodecyl]pyrrole-2,5-dione;1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione;bis(4-ethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione);bis(1-ethylpyrrole-2,5-dione);1-[(E)-octadec-8-enyl]pyrrole-2,5-dione has a molecular weight of 2722.60 g/mol, XLogP of 24.26, 80 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-4-methylpentyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;1-[20-(2,5-dioxopyrrol-1-yl)-10,11-dioctylicosyl]pyrrole-2,5-dione;1-[12-(2,5-dioxopyrrol-1-yl)dodecyl]pyrrole-2,5-dione;1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione;bis(4-ethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione);bis(1-ethylpyrrole-2,5-dione);1-[(E)-octadec-8-enyl]pyrrole-2,5-dione is sourced from PubChem (CID 160969136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).