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

C11H13NO2 — CID 130969150

IUPACN-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
SMILESCC(=O)N[C@H]1Cc2ccccc2[C@H]1O
InChIInChI=1S/C11H13NO2/c1-7(13)12-10-6-8-4-2-3-5-9(8)11(10)14/h2-5,10-11,14H,6H2,1H3,(H,12,13)/t10-,11+/m0/s1
InChIKeyYAVKIRFIKIWRKP-WDEREUQCSA-N
MW191.23 g/mol
LogP0.78
Rot. Bonds1

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

N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide (PubChem CID 130969150) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
PubChem CID130969150
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC NameN-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
SMILESCC(=O)N[C@H]1Cc2ccccc2[C@H]1O
InChIInChI=1S/C11H13NO2/c1-7(13)12-10-6-8-4-2-3-5-9(8)11(10)14/h2-5,10-11,14H,6H2,1H3,(H,12,13)/t10-,11+/m0/s1
InChIKeyYAVKIRFIKIWRKP-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

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Related Compounds

N-[4-[[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]cyclohexyl]acetamide
CID 99823688
N-[4-[[(1S,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]cyclohexyl]acetamide
CID 99823686
N-[4-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]cyclohexyl]acetamide
CID 99823685
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide
CID 2753031
N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139750983
3,3-difluoro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2,2-dimethylpropanamide
CID 124883091
N-[(1S,2S)-1-hydroxy-4-methyl-2,3-dihydro-1H-inden-2-yl]acetamide
CID 146168558
N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-(4-methoxyphenyl)acetamide
CID 97063534
N-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(4-methoxyphenyl)acetamide
CID 71913320
N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-methyl-2-(oxan-4-yl)propanamide
CID 124742204
N-[(1R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-3,3-dimethyl-2-(propanoylamino)butanamide
CID 71053168
(2S)-2-(cyclobutylamino)-2,3-dihydro-1H-inden-1-ol
CID 58393877

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide?
The IUPAC name of N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide (CID 130969150) is N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide.
What is the SMILES notation for N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide?
The canonical SMILES for N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide is CC(=O)N[C@H]1Cc2ccccc2[C@H]1O.
What is the InChIKey of N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide?
The InChIKey is YAVKIRFIKIWRKP-WDEREUQCSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7(13)12-10-6-8-4-2-3-5-9(8)11(10)14/h2-5,10-11,14H,6H2,1H3,(H,12,13)/t10-,11+/m0/s1.
What are the key properties of N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide?
N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-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)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide is sourced from PubChem (CID 130969150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).