3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indol-4-ol

C14H20N2O — CID 78358010

IUPAC3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indol-4-ol
SMILESCN1CCCC1CC1CNc2cccc(O)c21
InChIInChI=1S/C14H20N2O/c1-16-7-3-4-11(16)8-10-9-15-12-5-2-6-13(17)14(10)12/h2,5-6,10-11,15,17H,3-4,7-9H2,1H3
InChIKeyIEZDBJGTSJCFTD-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.39
Rot. Bonds2

About 3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indol-4-ol

3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indol-4-ol (PubChem CID 78358010) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indol-4-ol.

Molecular Properties

Compound Name3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indol-4-ol
PubChem CID78358010
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indol-4-ol
SMILESCN1CCCC1CC1CNc2cccc(O)c21
InChIInChI=1S/C14H20N2O/c1-16-7-3-4-11(16)8-10-9-15-12-5-2-6-13(17)14(10)12/h2,5-6,10-11,15,17H,3-4,7-9H2,1H3
InChIKeyIEZDBJGTSJCFTD-UHFFFAOYSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indol-4-ol?
The IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indol-4-ol (CID 78358010) is 3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indol-4-ol.
What is the SMILES notation for 3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indol-4-ol?
The canonical SMILES for 3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indol-4-ol is CN1CCCC1CC1CNc2cccc(O)c21.
What is the InChIKey of 3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indol-4-ol?
The InChIKey is IEZDBJGTSJCFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16-7-3-4-11(16)8-10-9-15-12-5-2-6-13(17)14(10)12/h2,5-6,10-11,15,17H,3-4,7-9H2,1H3.
What are the key properties of 3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indol-4-ol?
3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indol-4-ol has a molecular weight of 232.33 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indol-4-ol is sourced from PubChem (CID 78358010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).