1-[1-[3-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione

C31H32N4O4 — CID 54585712

IUPAC1-[1-[3-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCC1)c1cn(CCCn2cc(C(=O)C(=O)N3CCCC3)c3ccccc32)c2ccccc12
InChIInChI=1S/C31H32N4O4/c36-28(30(38)32-14-5-6-15-32)24-20-34(26-12-3-1-10-22(24)26)18-9-19-35-21-25(23-11-2-4-13-27(23)35)29(37)31(39)33-16-7-8-17-33/h1-4,10-13,20-21H,5-9,14-19H2
InChIKeyOJOGJZXCRNCOJD-UHFFFAOYSA-N
MW524.62 g/mol
LogP4.30
Rot. Bonds8

About 1-[1-[3-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione

1-[1-[3-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione (PubChem CID 54585712) has the molecular formula C31H32N4O4 and a molecular weight of 524.62 g/mol. Its IUPAC name is 1-[1-[3-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[1-[3-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
PubChem CID54585712
Molecular FormulaC31H32N4O4
Molecular Weight524.62 g/mol
Exact Mass524.24
IUPAC Name1-[1-[3-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCC1)c1cn(CCCn2cc(C(=O)C(=O)N3CCCC3)c3ccccc32)c2ccccc12
InChIInChI=1S/C31H32N4O4/c36-28(30(38)32-14-5-6-15-32)24-20-34(26-12-3-1-10-22(24)26)18-9-19-35-21-25(23-11-2-4-13-27(23)35)29(37)31(39)33-16-7-8-17-33/h1-4,10-13,20-21H,5-9,14-19H2
InChIKeyOJOGJZXCRNCOJD-UHFFFAOYSA-N
XLogP4.30
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.62
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione?
The IUPAC name of 1-[1-[3-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione (CID 54585712) is 1-[1-[3-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-[1-[3-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione?
The canonical SMILES for 1-[1-[3-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione is O=C(C(=O)N1CCCC1)c1cn(CCCn2cc(C(=O)C(=O)N3CCCC3)c3ccccc32)c2ccccc12.
What is the InChIKey of 1-[1-[3-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione?
The InChIKey is OJOGJZXCRNCOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O4/c36-28(30(38)32-14-5-6-15-32)24-20-34(26-12-3-1-10-22(24)26)18-9-19-35-21-25(23-11-2-4-13-27(23)35)29(37)31(39)33-16-7-8-17-33/h1-4,10-13,20-21H,5-9,14-19H2.
What are the key properties of 1-[1-[3-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione?
1-[1-[3-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione has a molecular weight of 524.62 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione is sourced from PubChem (CID 54585712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).