5-(5-ethylpyrrolidin-3-yl)-1-methyl-3H-indol-2-one

C15H20N2O — CID 82622541

IUPAC5-(5-ethylpyrrolidin-3-yl)-1-methyl-3H-indol-2-one
SMILESCCC1CC(c2ccc3c(c2)CC(=O)N3C)CN1
InChIInChI=1S/C15H20N2O/c1-3-13-7-12(9-16-13)10-4-5-14-11(6-10)8-15(18)17(14)2/h4-6,12-13,16H,3,7-9H2,1-2H3
InChIKeyXBCQMHSNBZNZLR-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.06
Rot. Bonds2

About 5-(5-ethylpyrrolidin-3-yl)-1-methyl-3H-indol-2-one

5-(5-ethylpyrrolidin-3-yl)-1-methyl-3H-indol-2-one (PubChem CID 82622541) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-(5-ethylpyrrolidin-3-yl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(5-ethylpyrrolidin-3-yl)-1-methyl-3H-indol-2-one
PubChem CID82622541
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-(5-ethylpyrrolidin-3-yl)-1-methyl-3H-indol-2-one
SMILESCCC1CC(c2ccc3c(c2)CC(=O)N3C)CN1
InChIInChI=1S/C15H20N2O/c1-3-13-7-12(9-16-13)10-4-5-14-11(6-10)8-15(18)17(14)2/h4-6,12-13,16H,3,7-9H2,1-2H3
InChIKeyXBCQMHSNBZNZLR-UHFFFAOYSA-N
XLogP2.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylpyrrolidin-3-yl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(5-ethylpyrrolidin-3-yl)-1-methyl-3H-indol-2-one (CID 82622541) is 5-(5-ethylpyrrolidin-3-yl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(5-ethylpyrrolidin-3-yl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(5-ethylpyrrolidin-3-yl)-1-methyl-3H-indol-2-one is CCC1CC(c2ccc3c(c2)CC(=O)N3C)CN1.
What is the InChIKey of 5-(5-ethylpyrrolidin-3-yl)-1-methyl-3H-indol-2-one?
The InChIKey is XBCQMHSNBZNZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-13-7-12(9-16-13)10-4-5-14-11(6-10)8-15(18)17(14)2/h4-6,12-13,16H,3,7-9H2,1-2H3.
What are the key properties of 5-(5-ethylpyrrolidin-3-yl)-1-methyl-3H-indol-2-one?
5-(5-ethylpyrrolidin-3-yl)-1-methyl-3H-indol-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethylpyrrolidin-3-yl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 82622541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).