2,3-dihydro-1H-inden-2-yl-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methanone

C16H21NO2 — CID 164642053

IUPAC2,3-dihydro-1H-inden-2-yl-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methanone
SMILESC[C@]1(CO)CCCN1C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C16H21NO2/c1-16(11-18)7-4-8-17(16)15(19)14-9-12-5-2-3-6-13(12)10-14/h2-3,5-6,14,18H,4,7-11H2,1H3/t16-/m1/s1
InChIKeyBVOMOODMGFIULV-MRXNPFEDSA-N
MW259.35 g/mol
LogP1.77
Rot. Bonds2

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

2,3-dihydro-1H-inden-2-yl-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methanone (PubChem CID 164642053) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methanone
PubChem CID164642053
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2,3-dihydro-1H-inden-2-yl-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methanone
SMILESC[C@]1(CO)CCCN1C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C16H21NO2/c1-16(11-18)7-4-8-17(16)15(19)14-9-12-5-2-3-6-13(12)10-14/h2-3,5-6,14,18H,4,7-11H2,1H3/t16-/m1/s1
InChIKeyBVOMOODMGFIULV-MRXNPFEDSA-N
XLogP1.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3-dihydro-1H-inden-2-yl-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methanone (CID 164642053) is 2,3-dihydro-1H-inden-2-yl-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methanone is C[C@]1(CO)CCCN1C(=O)C1Cc2ccccc2C1.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methanone?
The InChIKey is BVOMOODMGFIULV-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21NO2/c1-16(11-18)7-4-8-17(16)15(19)14-9-12-5-2-3-6-13(12)10-14/h2-3,5-6,14,18H,4,7-11H2,1H3/t16-/m1/s1.
What are the key properties of 2,3-dihydro-1H-inden-2-yl-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methanone?
2,3-dihydro-1H-inden-2-yl-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methanone has a molecular weight of 259.35 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl-[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 164642053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).