1-butan-2-yl-5-[2-(3-methoxyphenyl)-1H-indol-3-yl]pyrrolidin-2-one

C23H26N2O2 — CID 70680893

IUPAC1-butan-2-yl-5-[2-(3-methoxyphenyl)-1H-indol-3-yl]pyrrolidin-2-one
SMILESCCC(C)N1C(=O)CCC1c1c(-c2cccc(OC)c2)[nH]c2ccccc12
InChIInChI=1S/C23H26N2O2/c1-4-15(2)25-20(12-13-21(25)26)22-18-10-5-6-11-19(18)24-23(22)16-8-7-9-17(14-16)27-3/h5-11,14-15,20,24H,4,12-13H2,1-3H3
InChIKeyJMUTXESOAZLSHB-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.31
Rot. Bonds5

About 1-butan-2-yl-5-[2-(3-methoxyphenyl)-1H-indol-3-yl]pyrrolidin-2-one

1-butan-2-yl-5-[2-(3-methoxyphenyl)-1H-indol-3-yl]pyrrolidin-2-one (PubChem CID 70680893) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-butan-2-yl-5-[2-(3-methoxyphenyl)-1H-indol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-butan-2-yl-5-[2-(3-methoxyphenyl)-1H-indol-3-yl]pyrrolidin-2-one
PubChem CID70680893
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-butan-2-yl-5-[2-(3-methoxyphenyl)-1H-indol-3-yl]pyrrolidin-2-one
SMILESCCC(C)N1C(=O)CCC1c1c(-c2cccc(OC)c2)[nH]c2ccccc12
InChIInChI=1S/C23H26N2O2/c1-4-15(2)25-20(12-13-21(25)26)22-18-10-5-6-11-19(18)24-23(22)16-8-7-9-17(14-16)27-3/h5-11,14-15,20,24H,4,12-13H2,1-3H3
InChIKeyJMUTXESOAZLSHB-UHFFFAOYSA-N
XLogP5.31
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-[2-(3-methoxyphenyl)-1H-indol-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-butan-2-yl-5-[2-(3-methoxyphenyl)-1H-indol-3-yl]pyrrolidin-2-one (CID 70680893) is 1-butan-2-yl-5-[2-(3-methoxyphenyl)-1H-indol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-butan-2-yl-5-[2-(3-methoxyphenyl)-1H-indol-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-butan-2-yl-5-[2-(3-methoxyphenyl)-1H-indol-3-yl]pyrrolidin-2-one is CCC(C)N1C(=O)CCC1c1c(-c2cccc(OC)c2)[nH]c2ccccc12.
What is the InChIKey of 1-butan-2-yl-5-[2-(3-methoxyphenyl)-1H-indol-3-yl]pyrrolidin-2-one?
The InChIKey is JMUTXESOAZLSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-4-15(2)25-20(12-13-21(25)26)22-18-10-5-6-11-19(18)24-23(22)16-8-7-9-17(14-16)27-3/h5-11,14-15,20,24H,4,12-13H2,1-3H3.
What are the key properties of 1-butan-2-yl-5-[2-(3-methoxyphenyl)-1H-indol-3-yl]pyrrolidin-2-one?
1-butan-2-yl-5-[2-(3-methoxyphenyl)-1H-indol-3-yl]pyrrolidin-2-one has a molecular weight of 362.47 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-[2-(3-methoxyphenyl)-1H-indol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 70680893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).