3-[5-(2-aminoethylamino)pentylimino]-4-(1H-indol-3-yl)pyrrolidine-2,5-dione

C19H25N5O2 — CID 91108684

IUPAC3-[5-(2-aminoethylamino)pentylimino]-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESNCCNCCCCC/N=C1\C(=O)NC(=O)C1c1c[nH]c2ccccc12
InChIInChI=1S/C19H25N5O2/c20-8-11-21-9-4-1-5-10-22-17-16(18(25)24-19(17)26)14-12-23-15-7-3-2-6-13(14)15/h2-3,6-7,12,16,21,23H,1,4-5,8-11,20H2,(H,24,25,26)/b22-17-
InChIKeyQATCMAPBSTXMPG-XLNRJJMWSA-N
MW355.44 g/mol
LogP1.07
Rot. Bonds9

About 3-[5-(2-aminoethylamino)pentylimino]-4-(1H-indol-3-yl)pyrrolidine-2,5-dione

3-[5-(2-aminoethylamino)pentylimino]-4-(1H-indol-3-yl)pyrrolidine-2,5-dione (PubChem CID 91108684) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[5-(2-aminoethylamino)pentylimino]-4-(1H-indol-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[5-(2-aminoethylamino)pentylimino]-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
PubChem CID91108684
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name3-[5-(2-aminoethylamino)pentylimino]-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESNCCNCCCCC/N=C1\C(=O)NC(=O)C1c1c[nH]c2ccccc12
InChIInChI=1S/C19H25N5O2/c20-8-11-21-9-4-1-5-10-22-17-16(18(25)24-19(17)26)14-12-23-15-7-3-2-6-13(14)15/h2-3,6-7,12,16,21,23H,1,4-5,8-11,20H2,(H,24,25,26)/b22-17-
InChIKeyQATCMAPBSTXMPG-XLNRJJMWSA-N
XLogP1.07
TPSA112.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-imino-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
CID 56977887
3-[2-(2-aminoethylamino)ethylamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22728646
(2S)-2-amino-3-(1H-indol-3-yl)propanamide;N,N'-bis(3-aminopropyl)butane-1,4-diamine
CID 18457159
N-(2-aminoethyl)-N'-[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]pentane-1,5-diamine
CID 141107236
(3S,6R)-3-(4-aminobutyl)-6-(1H-indol-3-yl)piperazine-2,5-dione
CID 132562847
4-bromo-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one
CID 155758572
3-benzylimino-4-(1H-indol-3-yl)-1-methylpyrrolidine-2,5-dione
CID 90936802
(5R)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
CID 125484827
(5S)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
CID 125484828
N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine
CID 115195611
3-naphthalen-1-yl-4-phenyliminopyrrolidine-2,5-dione
CID 54171773
N-(2-aminoethyl)-1H-indole-3-sulfonamide
CID 82292478

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-aminoethylamino)pentylimino]-4-(1H-indol-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[5-(2-aminoethylamino)pentylimino]-4-(1H-indol-3-yl)pyrrolidine-2,5-dione (CID 91108684) is 3-[5-(2-aminoethylamino)pentylimino]-4-(1H-indol-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[5-(2-aminoethylamino)pentylimino]-4-(1H-indol-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[5-(2-aminoethylamino)pentylimino]-4-(1H-indol-3-yl)pyrrolidine-2,5-dione is NCCNCCCCC/N=C1\C(=O)NC(=O)C1c1c[nH]c2ccccc12.
What is the InChIKey of 3-[5-(2-aminoethylamino)pentylimino]-4-(1H-indol-3-yl)pyrrolidine-2,5-dione?
The InChIKey is QATCMAPBSTXMPG-XLNRJJMWSA-N. The full InChI is InChI=1S/C19H25N5O2/c20-8-11-21-9-4-1-5-10-22-17-16(18(25)24-19(17)26)14-12-23-15-7-3-2-6-13(14)15/h2-3,6-7,12,16,21,23H,1,4-5,8-11,20H2,(H,24,25,26)/b22-17-.
What are the key properties of 3-[5-(2-aminoethylamino)pentylimino]-4-(1H-indol-3-yl)pyrrolidine-2,5-dione?
3-[5-(2-aminoethylamino)pentylimino]-4-(1H-indol-3-yl)pyrrolidine-2,5-dione has a molecular weight of 355.44 g/mol, XLogP of 1.07, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-aminoethylamino)pentylimino]-4-(1H-indol-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 91108684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).