2,3-dihydro-1H-indol-6-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

C15H20N2O2 — CID 102780631

IUPAC2,3-dihydro-1H-indol-6-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCC1CCN(C(=O)c2ccc3c(c2)NCC3)C1CO
InChIInChI=1S/C15H20N2O2/c1-10-5-7-17(14(10)9-18)15(19)12-3-2-11-4-6-16-13(11)8-12/h2-3,8,10,14,16,18H,4-7,9H2,1H3
InChIKeyJQSDLFSDQSZFEE-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.50
Rot. Bonds2

About 2,3-dihydro-1H-indol-6-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

2,3-dihydro-1H-indol-6-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (PubChem CID 102780631) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-6-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-6-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
PubChem CID102780631
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2,3-dihydro-1H-indol-6-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCC1CCN(C(=O)c2ccc3c(c2)NCC3)C1CO
InChIInChI=1S/C15H20N2O2/c1-10-5-7-17(14(10)9-18)15(19)12-3-2-11-4-6-16-13(11)8-12/h2-3,8,10,14,16,18H,4-7,9H2,1H3
InChIKeyJQSDLFSDQSZFEE-UHFFFAOYSA-N
XLogP1.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]methanesulfonamide
CID 102738206
furan-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738155
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 102737812
2,3-dihydro-1H-indol-6-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107222896
[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102786921
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102738443
4-(2,3-dihydro-1H-indole-5-carbonyl)-3-methylpiperazin-2-one
CID 63606218
2,3-dihydro-1H-indol-5-yl-(2-ethylpyrrolidin-1-yl)methanone
CID 54886081
2,3-dihydro-1H-indol-5-yl-[(2S)-2-ethylpyrrolidin-1-yl]methanone
CID 93394367
2,3-dihydro-1H-indol-6-yl(morpholin-4-yl)methanone
CID 90299623
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dihydro-1H-indol-6-yl)methanone
CID 114459940
cyclopentylmethyl 2,3-dihydro-1H-indole-6-carboxylate
CID 113382406

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-6-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-indol-6-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (CID 102780631) is 2,3-dihydro-1H-indol-6-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-6-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-6-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is CC1CCN(C(=O)c2ccc3c(c2)NCC3)C1CO.
What is the InChIKey of 2,3-dihydro-1H-indol-6-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The InChIKey is JQSDLFSDQSZFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-5-7-17(14(10)9-18)15(19)12-3-2-11-4-6-16-13(11)8-12/h2-3,8,10,14,16,18H,4-7,9H2,1H3.
What are the key properties of 2,3-dihydro-1H-indol-6-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
2,3-dihydro-1H-indol-6-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 260.34 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-6-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 102780631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).