1-[5-(2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione

C21H18N2O4 — CID 139227605

IUPAC1-[5-(2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCCCCN2C(=O)C(=O)c3ccccc32)c2ccccc21
InChIInChI=1S/C21H18N2O4/c24-18-14-8-2-4-10-16(14)22(20(18)26)12-6-1-7-13-23-17-11-5-3-9-15(17)19(25)21(23)27/h2-5,8-11H,1,6-7,12-13H2
InChIKeyKGAWSUQYKWFRFK-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.62
Rot. Bonds6

About 1-[5-(2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione

1-[5-(2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione (PubChem CID 139227605) has the molecular formula C21H18N2O4 and a molecular weight of 362.38 g/mol. Its IUPAC name is 1-[5-(2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[5-(2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione
PubChem CID139227605
Molecular FormulaC21H18N2O4
Molecular Weight362.38 g/mol
Exact Mass362.13
IUPAC Name1-[5-(2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCCCCN2C(=O)C(=O)c3ccccc32)c2ccccc21
InChIInChI=1S/C21H18N2O4/c24-18-14-8-2-4-10-16(14)22(20(18)26)12-6-1-7-13-23-17-11-5-3-9-15(17)19(25)21(23)27/h2-5,8-11H,1,6-7,12-13H2
InChIKeyKGAWSUQYKWFRFK-UHFFFAOYSA-N
XLogP2.62
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione?
The IUPAC name of 1-[5-(2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione (CID 139227605) is 1-[5-(2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione.
What is the SMILES notation for 1-[5-(2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione?
The canonical SMILES for 1-[5-(2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione is O=C1C(=O)N(CCCCCN2C(=O)C(=O)c3ccccc32)c2ccccc21.
What is the InChIKey of 1-[5-(2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione?
The InChIKey is KGAWSUQYKWFRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c24-18-14-8-2-4-10-16(14)22(20(18)26)12-6-1-7-13-23-17-11-5-3-9-15(17)19(25)21(23)27/h2-5,8-11H,1,6-7,12-13H2.
What are the key properties of 1-[5-(2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione?
1-[5-(2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione has a molecular weight of 362.38 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione is sourced from PubChem (CID 139227605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).