3-(1H-indol-3-yl)-1-methyl-4-[(tributyl-λ5-phosphanylidene)amino]pyrrole-2,5-dione

C25H36N3O2P — CID 10623032

IUPAC3-(1H-indol-3-yl)-1-methyl-4-[(tributyl-λ5-phosphanylidene)amino]pyrrole-2,5-dione
SMILESCCCCP(CCCC)(CCCC)=NC1=C(c2c[nH]c3ccccc23)C(=O)N(C)C1=O
InChIInChI=1S/C25H36N3O2P/c1-5-8-15-31(16-9-6-2,17-10-7-3)27-23-22(24(29)28(4)25(23)30)20-18-26-21-14-12-11-13-19(20)21/h11-14,18,26H,5-10,15-17H2,1-4H3
InChIKeySKIODVGYZPVSBY-UHFFFAOYSA-N
MW441.56 g/mol
LogP6.48
Rot. Bonds11

About 3-(1H-indol-3-yl)-1-methyl-4-[(tributyl-λ5-phosphanylidene)amino]pyrrole-2,5-dione

3-(1H-indol-3-yl)-1-methyl-4-[(tributyl-λ5-phosphanylidene)amino]pyrrole-2,5-dione (PubChem CID 10623032) has the molecular formula C25H36N3O2P and a molecular weight of 441.56 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-methyl-4-[(tributyl-λ5-phosphanylidene)amino]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-methyl-4-[(tributyl-λ5-phosphanylidene)amino]pyrrole-2,5-dione
PubChem CID10623032
Molecular FormulaC25H36N3O2P
Molecular Weight441.56 g/mol
Exact Mass441.25
IUPAC Name3-(1H-indol-3-yl)-1-methyl-4-[(tributyl-λ5-phosphanylidene)amino]pyrrole-2,5-dione
SMILESCCCCP(CCCC)(CCCC)=NC1=C(c2c[nH]c3ccccc23)C(=O)N(C)C1=O
InChIInChI=1S/C25H36N3O2P/c1-5-8-15-31(16-9-6-2,17-10-7-3)27-23-22(24(29)28(4)25(23)30)20-18-26-21-14-12-11-13-19(20)21/h11-14,18,26H,5-10,15-17H2,1-4H3
InChIKeySKIODVGYZPVSBY-UHFFFAOYSA-N
XLogP6.48
TPSA65.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.56
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1H-indol-3-yl)-1-methyl-4-[(tributyl-λ5-phosphanylidene)amino]pyrrole-2,5-dione with MolForge

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Related Compounds

3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 2400
3-[3-[(dimethylamino)methyl]indol-1-yl]-4-(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 15132380
3-(1H-indol-3-yl)-1-methyl-4-[1-(2-phenylethyl)indol-3-yl]pyrrole-2,5-dione
CID 148910370
tert-butyl 3-[4-(1H-indol-3-yl)-1-methyl-2,5-dioxopyrrol-3-yl]indole-1-carboxylate
CID 11166603
4-(1-butylindol-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione
CID 59616555
3-(1H-indol-3-yl)-1-methyl-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione
CID 25215540
2-[2-[3-[4-(1H-indol-3-yl)-1-methyl-2,5-dioxopyrrol-3-yl]indol-1-yl]ethoxy]ethyl acetate
CID 102019849
3,4-bis(1H-indol-3-yl)-1-(8-oxodecanoyl)pyrrole-2,5-dione;3,4-bis(1H-indol-3-yl)-1-(7-oxononyl)pyrrole-2,5-dione
CID 157130886
3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)furan-2,5-dione
CID 14855714
methyl (2S)-2-[[2-[3-[4-(1H-indol-3-yl)-1-methyl-2,5-dioxopyrrol-3-yl]indol-1-yl]acetyl]amino]-3-methylbutanoate
CID 46933956
N-butyl-5-(1H-indol-3-yl)-3-methyl-6H-1,3,4-thiadiazin-2-imine
CID 4968585
3-azido-4-(5-methoxy-1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 10661694

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1-methyl-4-[(tributyl-λ5-phosphanylidene)amino]pyrrole-2,5-dione?
The IUPAC name of 3-(1H-indol-3-yl)-1-methyl-4-[(tributyl-λ5-phosphanylidene)amino]pyrrole-2,5-dione (CID 10623032) is 3-(1H-indol-3-yl)-1-methyl-4-[(tributyl-λ5-phosphanylidene)amino]pyrrole-2,5-dione.
What is the SMILES notation for 3-(1H-indol-3-yl)-1-methyl-4-[(tributyl-λ5-phosphanylidene)amino]pyrrole-2,5-dione?
The canonical SMILES for 3-(1H-indol-3-yl)-1-methyl-4-[(tributyl-λ5-phosphanylidene)amino]pyrrole-2,5-dione is CCCCP(CCCC)(CCCC)=NC1=C(c2c[nH]c3ccccc23)C(=O)N(C)C1=O.
What is the InChIKey of 3-(1H-indol-3-yl)-1-methyl-4-[(tributyl-λ5-phosphanylidene)amino]pyrrole-2,5-dione?
The InChIKey is SKIODVGYZPVSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N3O2P/c1-5-8-15-31(16-9-6-2,17-10-7-3)27-23-22(24(29)28(4)25(23)30)20-18-26-21-14-12-11-13-19(20)21/h11-14,18,26H,5-10,15-17H2,1-4H3.
What are the key properties of 3-(1H-indol-3-yl)-1-methyl-4-[(tributyl-λ5-phosphanylidene)amino]pyrrole-2,5-dione?
3-(1H-indol-3-yl)-1-methyl-4-[(tributyl-λ5-phosphanylidene)amino]pyrrole-2,5-dione has a molecular weight of 441.56 g/mol, XLogP of 6.48, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-methyl-4-[(tributyl-λ5-phosphanylidene)amino]pyrrole-2,5-dione is sourced from PubChem (CID 10623032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).