3-(1-methylindol-3-yl)-4-(propylamino)-1-tridecylpyrrole-2,5-dione

C29H43N3O2 — CID 155522493

IUPAC3-(1-methylindol-3-yl)-4-(propylamino)-1-tridecylpyrrole-2,5-dione
SMILESCCCCCCCCCCCCCN1C(=O)C(NCCC)=C(c2cn(C)c3ccccc23)C1=O
InChIInChI=1S/C29H43N3O2/c1-4-6-7-8-9-10-11-12-13-14-17-21-32-28(33)26(27(29(32)34)30-20-5-2)24-22-31(3)25-19-16-15-18-23(24)25/h15-16,18-19,22,30H,4-14,17,20-21H2,1-3H3
InChIKeyGGYSOOQCHWGCMB-UHFFFAOYSA-N
MW465.68 g/mol
LogP6.57
Rot. Bonds16

About 3-(1-methylindol-3-yl)-4-(propylamino)-1-tridecylpyrrole-2,5-dione

3-(1-methylindol-3-yl)-4-(propylamino)-1-tridecylpyrrole-2,5-dione (PubChem CID 155522493) has the molecular formula C29H43N3O2 and a molecular weight of 465.68 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-4-(propylamino)-1-tridecylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-4-(propylamino)-1-tridecylpyrrole-2,5-dione
PubChem CID155522493
Molecular FormulaC29H43N3O2
Molecular Weight465.68 g/mol
Exact Mass465.34
IUPAC Name3-(1-methylindol-3-yl)-4-(propylamino)-1-tridecylpyrrole-2,5-dione
SMILESCCCCCCCCCCCCCN1C(=O)C(NCCC)=C(c2cn(C)c3ccccc23)C1=O
InChIInChI=1S/C29H43N3O2/c1-4-6-7-8-9-10-11-12-13-14-17-21-32-28(33)26(27(29(32)34)30-20-5-2)24-22-31(3)25-19-16-15-18-23(24)25/h15-16,18-19,22,30H,4-14,17,20-21H2,1-3H3
InChIKeyGGYSOOQCHWGCMB-UHFFFAOYSA-N
XLogP6.57
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.68
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(1-methylindol-3-yl)-4-(2-phenylethylamino)pyrrole-2,5-dione
CID 155523792
3,4-bis(1-dodecylindol-3-yl)pyrrole-2,5-dione
CID 139200953
3-(1-methylindol-3-yl)-1-pentylquinoxalin-2-one
CID 134852171
1-benzyl-3-(1-pentylindol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione
CID 11409976
3,4-bis(1-methylindol-3-yl)furan-2,5-dione
CID 14525661
4-[3-(1H-indol-2-yl)-4-(1-methylindol-3-yl)-2,5-dioxopyrrol-1-yl]butanenitrile
CID 67598118
1-[3-(dimethylamino)propyl]-3-(1H-indol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 67598052
1-(1-methylindol-3-yl)octan-1-one
CID 43340220
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
3-decyl-1-methylindole
CID 10802084
5,25-didodecyl-5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaen-15-one
CID 67958902

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-4-(propylamino)-1-tridecylpyrrole-2,5-dione?
The IUPAC name of 3-(1-methylindol-3-yl)-4-(propylamino)-1-tridecylpyrrole-2,5-dione (CID 155522493) is 3-(1-methylindol-3-yl)-4-(propylamino)-1-tridecylpyrrole-2,5-dione.
What is the SMILES notation for 3-(1-methylindol-3-yl)-4-(propylamino)-1-tridecylpyrrole-2,5-dione?
The canonical SMILES for 3-(1-methylindol-3-yl)-4-(propylamino)-1-tridecylpyrrole-2,5-dione is CCCCCCCCCCCCCN1C(=O)C(NCCC)=C(c2cn(C)c3ccccc23)C1=O.
What is the InChIKey of 3-(1-methylindol-3-yl)-4-(propylamino)-1-tridecylpyrrole-2,5-dione?
The InChIKey is GGYSOOQCHWGCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N3O2/c1-4-6-7-8-9-10-11-12-13-14-17-21-32-28(33)26(27(29(32)34)30-20-5-2)24-22-31(3)25-19-16-15-18-23(24)25/h15-16,18-19,22,30H,4-14,17,20-21H2,1-3H3.
What are the key properties of 3-(1-methylindol-3-yl)-4-(propylamino)-1-tridecylpyrrole-2,5-dione?
3-(1-methylindol-3-yl)-4-(propylamino)-1-tridecylpyrrole-2,5-dione has a molecular weight of 465.68 g/mol, XLogP of 6.57, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-4-(propylamino)-1-tridecylpyrrole-2,5-dione is sourced from PubChem (CID 155522493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).