1-butan-2-yl-5-(1,2-dimethylindol-3-yl)pyrrolidin-2-one

C18H24N2O — CID 70680898

IUPAC1-butan-2-yl-5-(1,2-dimethylindol-3-yl)pyrrolidin-2-one
SMILESCCC(C)N1C(=O)CCC1c1c(C)n(C)c2ccccc12
InChIInChI=1S/C18H24N2O/c1-5-12(2)20-16(10-11-17(20)21)18-13(3)19(4)15-9-7-6-8-14(15)18/h6-9,12,16H,5,10-11H2,1-4H3
InChIKeyLTGOYYRQYNHPNS-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.95
Rot. Bonds3

About 1-butan-2-yl-5-(1,2-dimethylindol-3-yl)pyrrolidin-2-one

1-butan-2-yl-5-(1,2-dimethylindol-3-yl)pyrrolidin-2-one (PubChem CID 70680898) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-butan-2-yl-5-(1,2-dimethylindol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-butan-2-yl-5-(1,2-dimethylindol-3-yl)pyrrolidin-2-one
PubChem CID70680898
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-butan-2-yl-5-(1,2-dimethylindol-3-yl)pyrrolidin-2-one
SMILESCCC(C)N1C(=O)CCC1c1c(C)n(C)c2ccccc12
InChIInChI=1S/C18H24N2O/c1-5-12(2)20-16(10-11-17(20)21)18-13(3)19(4)15-9-7-6-8-14(15)18/h6-9,12,16H,5,10-11H2,1-4H3
InChIKeyLTGOYYRQYNHPNS-UHFFFAOYSA-N
XLogP3.95
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-(1,2-dimethylindol-3-yl)pyrrolidin-2-one?
The IUPAC name of 1-butan-2-yl-5-(1,2-dimethylindol-3-yl)pyrrolidin-2-one (CID 70680898) is 1-butan-2-yl-5-(1,2-dimethylindol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-butan-2-yl-5-(1,2-dimethylindol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 1-butan-2-yl-5-(1,2-dimethylindol-3-yl)pyrrolidin-2-one is CCC(C)N1C(=O)CCC1c1c(C)n(C)c2ccccc12.
What is the InChIKey of 1-butan-2-yl-5-(1,2-dimethylindol-3-yl)pyrrolidin-2-one?
The InChIKey is LTGOYYRQYNHPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-12(2)20-16(10-11-17(20)21)18-13(3)19(4)15-9-7-6-8-14(15)18/h6-9,12,16H,5,10-11H2,1-4H3.
What are the key properties of 1-butan-2-yl-5-(1,2-dimethylindol-3-yl)pyrrolidin-2-one?
1-butan-2-yl-5-(1,2-dimethylindol-3-yl)pyrrolidin-2-one has a molecular weight of 284.40 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-(1,2-dimethylindol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 70680898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).