1-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-4-ol

C15H22N2O — CID 169244496

IUPAC1-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-4-ol
SMILESCN1CC(CC2CCCN2C)c2c(O)cccc21
InChIInChI=1S/C15H22N2O/c1-16-8-4-5-12(16)9-11-10-17(2)13-6-3-7-14(18)15(11)13/h3,6-7,11-12,18H,4-5,8-10H2,1-2H3
InChIKeyWTTJRNXFHQYFFH-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.41
Rot. Bonds2

About 1-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-4-ol

1-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-4-ol (PubChem CID 169244496) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-4-ol.

Molecular Properties

Compound Name1-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-4-ol
PubChem CID169244496
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-4-ol
SMILESCN1CC(CC2CCCN2C)c2c(O)cccc21
InChIInChI=1S/C15H22N2O/c1-16-8-4-5-12(16)9-11-10-17(2)13-6-3-7-14(18)15(11)13/h3,6-7,11-12,18H,4-5,8-10H2,1-2H3
InChIKeyWTTJRNXFHQYFFH-UHFFFAOYSA-N
XLogP2.41
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylpyrrolidin-2-yl)methyl]-1-propan-2-yl-2,3-dihydroindol-4-ol
CID 169244381
3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indol-4-ol
CID 78358010
3-(2-hydroxypropyl)-1-methyl-2,3-dihydroindol-4-ol
CID 117200353
3-(3-aminopropyl)-1-methyl-2,3-dihydroindol-4-ol
CID 117200414
(2R)-1-methyl-2-[[(1R)-7-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine
CID 178102594
(2R)-2-[[(3S)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl]-1-methylpyrrolidine
CID 178102740
(2R)-1-methyl-2-[[(1S)-7-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine
CID 178102711
(2R)-2-[[(3S)-4-cyclopropyl-2,3-dihydro-1-benzothiophen-3-yl]methyl]-1-methylpyrrolidine
CID 178102683
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylpyrrolidine
CID 178102510
4-hydroxy-1-methyl-2,3-dihydroindole-3-carboxylic acid
CID 117200421
4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol
CID 14151605
(2R)-2-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine
CID 178102515

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-4-ol?
The IUPAC name of 1-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-4-ol (CID 169244496) is 1-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-4-ol.
What is the SMILES notation for 1-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-4-ol?
The canonical SMILES for 1-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-4-ol is CN1CC(CC2CCCN2C)c2c(O)cccc21.
What is the InChIKey of 1-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-4-ol?
The InChIKey is WTTJRNXFHQYFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-16-8-4-5-12(16)9-11-10-17(2)13-6-3-7-14(18)15(11)13/h3,6-7,11-12,18H,4-5,8-10H2,1-2H3.
What are the key properties of 1-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-4-ol?
1-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-4-ol has a molecular weight of 246.35 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-4-ol is sourced from PubChem (CID 169244496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).