1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione

C20H20N2O2 — CID 741114

IUPAC1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
SMILESO=C(CCC(=O)N1CCc2ccccc21)N1CCc2ccccc21
InChIInChI=1S/C20H20N2O2/c23-19(21-13-11-15-5-1-3-7-17(15)21)9-10-20(24)22-14-12-16-6-2-4-8-18(16)22/h1-8H,9-14H2
InChIKeyNWLZWCDHNDVKHE-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.95
Rot. Bonds3

About 1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione

1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione (PubChem CID 741114) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione.

Molecular Properties

Compound Name1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
PubChem CID741114
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
SMILESO=C(CCC(=O)N1CCc2ccccc21)N1CCc2ccccc21
InChIInChI=1S/C20H20N2O2/c23-19(21-13-11-15-5-1-3-7-17(15)21)9-10-20(24)22-14-12-16-6-2-4-8-18(16)22/h1-8H,9-14H2
InChIKeyNWLZWCDHNDVKHE-UHFFFAOYSA-N
XLogP2.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 99980595
1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione?
The IUPAC name of 1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione (CID 741114) is 1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione.
What is the SMILES notation for 1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione?
The canonical SMILES for 1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione is O=C(CCC(=O)N1CCc2ccccc21)N1CCc2ccccc21.
What is the InChIKey of 1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione?
The InChIKey is NWLZWCDHNDVKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-19(21-13-11-15-5-1-3-7-17(15)21)9-10-20(24)22-14-12-16-6-2-4-8-18(16)22/h1-8H,9-14H2.
What are the key properties of 1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione?
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione has a molecular weight of 320.39 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione is sourced from PubChem (CID 741114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).