1-(pyrrolidin-3-ylmethyl)-3H-indol-2-one

C13H16N2O — CID 82239891

IUPAC1-(pyrrolidin-3-ylmethyl)-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CC1CCNC1
InChIInChI=1S/C13H16N2O/c16-13-7-11-3-1-2-4-12(11)15(13)9-10-5-6-14-8-10/h1-4,10,14H,5-9H2
InChIKeyUINURHYLMAJSBQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.19
Rot. Bonds2

About 1-(pyrrolidin-3-ylmethyl)-3H-indol-2-one

1-(pyrrolidin-3-ylmethyl)-3H-indol-2-one (PubChem CID 82239891) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(pyrrolidin-3-ylmethyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-(pyrrolidin-3-ylmethyl)-3H-indol-2-one
PubChem CID82239891
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(pyrrolidin-3-ylmethyl)-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CC1CCNC1
InChIInChI=1S/C13H16N2O/c16-13-7-11-3-1-2-4-12(11)15(13)9-10-5-6-14-8-10/h1-4,10,14H,5-9H2
InChIKeyUINURHYLMAJSBQ-UHFFFAOYSA-N
XLogP1.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidin-3-ylmethyl)-3H-indol-2-one?
The IUPAC name of 1-(pyrrolidin-3-ylmethyl)-3H-indol-2-one (CID 82239891) is 1-(pyrrolidin-3-ylmethyl)-3H-indol-2-one.
What is the SMILES notation for 1-(pyrrolidin-3-ylmethyl)-3H-indol-2-one?
The canonical SMILES for 1-(pyrrolidin-3-ylmethyl)-3H-indol-2-one is O=C1Cc2ccccc2N1CC1CCNC1.
What is the InChIKey of 1-(pyrrolidin-3-ylmethyl)-3H-indol-2-one?
The InChIKey is UINURHYLMAJSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c16-13-7-11-3-1-2-4-12(11)15(13)9-10-5-6-14-8-10/h1-4,10,14H,5-9H2.
What are the key properties of 1-(pyrrolidin-3-ylmethyl)-3H-indol-2-one?
1-(pyrrolidin-3-ylmethyl)-3H-indol-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidin-3-ylmethyl)-3H-indol-2-one is sourced from PubChem (CID 82239891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).