N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide

C11H13NO2 — CID 22874977

IUPACN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCC(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C11H13NO2/c1-7(13)12-11-9-5-3-2-4-8(9)6-10(11)14/h2-5,10-11,14H,6H2,1H3,(H,12,13)/t10-,11+/m0/s1
InChIKeyXDFQDTUZWKSCIR-WDEREUQCSA-N
MW191.23 g/mol
LogP0.78
Rot. Bonds1

About N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 22874977) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID22874977
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCC(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C11H13NO2/c1-7(13)12-11-9-5-3-2-4-8(9)6-10(11)14/h2-5,10-11,14H,6H2,1H3,(H,12,13)/t10-,11+/m0/s1
InChIKeyXDFQDTUZWKSCIR-WDEREUQCSA-N
XLogP0.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide 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 N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide (CID 22874977) is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide is CC(=O)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is XDFQDTUZWKSCIR-WDEREUQCSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7(13)12-11-9-5-3-2-4-8(9)6-10(11)14/h2-5,10-11,14H,6H2,1H3,(H,12,13)/t10-,11+/m0/s1.
What are the key properties of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide?
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 191.23 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 22874977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).