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

C17H26N2O — CID 169244381

IUPAC3-[(1-methylpyrrolidin-2-yl)methyl]-1-propan-2-yl-2,3-dihydroindol-4-ol
SMILESCC(C)N1CC(CC2CCCN2C)c2c(O)cccc21
InChIInChI=1S/C17H26N2O/c1-12(2)19-11-13(10-14-6-5-9-18(14)3)17-15(19)7-4-8-16(17)20/h4,7-8,12-14,20H,5-6,9-11H2,1-3H3
InChIKeyNPYBRAODNFWKTR-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.19
Rot. Bonds3

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

3-[(1-methylpyrrolidin-2-yl)methyl]-1-propan-2-yl-2,3-dihydroindol-4-ol (PubChem CID 169244381) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[(1-methylpyrrolidin-2-yl)methyl]-1-propan-2-yl-2,3-dihydroindol-4-ol.

Molecular Properties

Compound Name3-[(1-methylpyrrolidin-2-yl)methyl]-1-propan-2-yl-2,3-dihydroindol-4-ol
PubChem CID169244381
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-[(1-methylpyrrolidin-2-yl)methyl]-1-propan-2-yl-2,3-dihydroindol-4-ol
SMILESCC(C)N1CC(CC2CCCN2C)c2c(O)cccc21
InChIInChI=1S/C17H26N2O/c1-12(2)19-11-13(10-14-6-5-9-18(14)3)17-15(19)7-4-8-16(17)20/h4,7-8,12-14,20H,5-6,9-11H2,1-3H3
InChIKeyNPYBRAODNFWKTR-UHFFFAOYSA-N
XLogP3.19
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-4-ol
CID 169244496
3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indol-4-ol
CID 78358010
(2R)-1-methyl-2-[[(1R)-7-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine
CID 178102594
(2R)-1-methyl-2-[[(1S)-7-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine
CID 178102711
3-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-2-oxa-5-azatricyclo[4.3.1.03,10]deca-1(9),6(10),7-triene
CID 169244382
(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
(2R)-2-[[(3S)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl]-1-methylpyrrolidine
CID 178102740
3-(2-hydroxypropyl)-1-methyl-2,3-dihydroindol-4-ol
CID 117200353
3-[2-(1-methylpyrrolidin-2-yl)ethyl]phenol
CID 84673587
2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid
CID 117199630
4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol
CID 14151605

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methyl]-1-propan-2-yl-2,3-dihydroindol-4-ol?
The IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methyl]-1-propan-2-yl-2,3-dihydroindol-4-ol (CID 169244381) is 3-[(1-methylpyrrolidin-2-yl)methyl]-1-propan-2-yl-2,3-dihydroindol-4-ol.
What is the SMILES notation for 3-[(1-methylpyrrolidin-2-yl)methyl]-1-propan-2-yl-2,3-dihydroindol-4-ol?
The canonical SMILES for 3-[(1-methylpyrrolidin-2-yl)methyl]-1-propan-2-yl-2,3-dihydroindol-4-ol is CC(C)N1CC(CC2CCCN2C)c2c(O)cccc21.
What is the InChIKey of 3-[(1-methylpyrrolidin-2-yl)methyl]-1-propan-2-yl-2,3-dihydroindol-4-ol?
The InChIKey is NPYBRAODNFWKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)19-11-13(10-14-6-5-9-18(14)3)17-15(19)7-4-8-16(17)20/h4,7-8,12-14,20H,5-6,9-11H2,1-3H3.
What are the key properties of 3-[(1-methylpyrrolidin-2-yl)methyl]-1-propan-2-yl-2,3-dihydroindol-4-ol?
3-[(1-methylpyrrolidin-2-yl)methyl]-1-propan-2-yl-2,3-dihydroindol-4-ol has a molecular weight of 274.41 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrrolidin-2-yl)methyl]-1-propan-2-yl-2,3-dihydroindol-4-ol is sourced from PubChem (CID 169244381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).