1-methyl-5-pyrrolidin-2-yl-3H-indol-2-one

C13H16N2O — CID 82284941

IUPAC1-methyl-5-pyrrolidin-2-yl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C3CCCN3)ccc21
InChIInChI=1S/C13H16N2O/c1-15-12-5-4-9(11-3-2-6-14-11)7-10(12)8-13(15)16/h4-5,7,11,14H,2-3,6,8H2,1H3
InChIKeyWLKNSLAVSJRWJJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.63
Rot. Bonds1

About 1-methyl-5-pyrrolidin-2-yl-3H-indol-2-one

1-methyl-5-pyrrolidin-2-yl-3H-indol-2-one (PubChem CID 82284941) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-methyl-5-pyrrolidin-2-yl-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-pyrrolidin-2-yl-3H-indol-2-one
PubChem CID82284941
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-methyl-5-pyrrolidin-2-yl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C3CCCN3)ccc21
InChIInChI=1S/C13H16N2O/c1-15-12-5-4-9(11-3-2-6-14-11)7-10(12)8-13(15)16/h4-5,7,11,14H,2-3,6,8H2,1H3
InChIKeyWLKNSLAVSJRWJJ-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-pyrrolidin-2-yl-3H-indol-2-one?
The IUPAC name of 1-methyl-5-pyrrolidin-2-yl-3H-indol-2-one (CID 82284941) is 1-methyl-5-pyrrolidin-2-yl-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-pyrrolidin-2-yl-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-pyrrolidin-2-yl-3H-indol-2-one is CN1C(=O)Cc2cc(C3CCCN3)ccc21.
What is the InChIKey of 1-methyl-5-pyrrolidin-2-yl-3H-indol-2-one?
The InChIKey is WLKNSLAVSJRWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-15-12-5-4-9(11-3-2-6-14-11)7-10(12)8-13(15)16/h4-5,7,11,14H,2-3,6,8H2,1H3.
What are the key properties of 1-methyl-5-pyrrolidin-2-yl-3H-indol-2-one?
1-methyl-5-pyrrolidin-2-yl-3H-indol-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-pyrrolidin-2-yl-3H-indol-2-one is sourced from PubChem (CID 82284941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).