1,3-bis(1H-indol-3-yl)-3H-pyrrol-2-one

C20H15N3O — CID 10425726

IUPAC1,3-bis(1H-indol-3-yl)-3H-pyrrol-2-one
SMILESO=C1C(c2c[nH]c3ccccc23)C=CN1c1c[nH]c2ccccc12
InChIInChI=1S/C20H15N3O/c24-20-14(16-11-21-17-7-3-1-5-13(16)17)9-10-23(20)19-12-22-18-8-4-2-6-15(18)19/h1-12,14,21-22H
InChIKeyCUGAUFHMHYHGIY-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.29
Rot. Bonds2

About 1,3-bis(1H-indol-3-yl)-3H-pyrrol-2-one

1,3-bis(1H-indol-3-yl)-3H-pyrrol-2-one (PubChem CID 10425726) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 1,3-bis(1H-indol-3-yl)-3H-pyrrol-2-one.

Molecular Properties

Compound Name1,3-bis(1H-indol-3-yl)-3H-pyrrol-2-one
PubChem CID10425726
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name1,3-bis(1H-indol-3-yl)-3H-pyrrol-2-one
SMILESO=C1C(c2c[nH]c3ccccc23)C=CN1c1c[nH]c2ccccc12
InChIInChI=1S/C20H15N3O/c24-20-14(16-11-21-17-7-3-1-5-13(16)17)9-10-23(20)19-12-22-18-8-4-2-6-15(18)19/h1-12,14,21-22H
InChIKeyCUGAUFHMHYHGIY-UHFFFAOYSA-N
XLogP4.29
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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(4R)-4-(1H-indol-3-yl)-5,5-diphenylcyclopent-2-en-1-one
CID 164668605
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CID 110711055

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1H-indol-3-yl)-3H-pyrrol-2-one?
The IUPAC name of 1,3-bis(1H-indol-3-yl)-3H-pyrrol-2-one (CID 10425726) is 1,3-bis(1H-indol-3-yl)-3H-pyrrol-2-one.
What is the SMILES notation for 1,3-bis(1H-indol-3-yl)-3H-pyrrol-2-one?
The canonical SMILES for 1,3-bis(1H-indol-3-yl)-3H-pyrrol-2-one is O=C1C(c2c[nH]c3ccccc23)C=CN1c1c[nH]c2ccccc12.
What is the InChIKey of 1,3-bis(1H-indol-3-yl)-3H-pyrrol-2-one?
The InChIKey is CUGAUFHMHYHGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c24-20-14(16-11-21-17-7-3-1-5-13(16)17)9-10-23(20)19-12-22-18-8-4-2-6-15(18)19/h1-12,14,21-22H.
What are the key properties of 1,3-bis(1H-indol-3-yl)-3H-pyrrol-2-one?
1,3-bis(1H-indol-3-yl)-3H-pyrrol-2-one has a molecular weight of 313.36 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1H-indol-3-yl)-3H-pyrrol-2-one is sourced from PubChem (CID 10425726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).