N-[(1S,2S)-1-hydroxy-4-methyl-2,3-dihydro-1H-inden-2-yl]acetamide

C12H15NO2 — CID 146168558

IUPACN-[(1S,2S)-1-hydroxy-4-methyl-2,3-dihydro-1H-inden-2-yl]acetamide
SMILESCC(=O)N[C@H]1Cc2c(C)cccc2[C@@H]1O
InChIInChI=1S/C12H15NO2/c1-7-4-3-5-9-10(7)6-11(12(9)15)13-8(2)14/h3-5,11-12,15H,6H2,1-2H3,(H,13,14)/t11-,12-/m0/s1
InChIKeyUTQROAAKHBLUQC-RYUDHWBXSA-N
MW205.26 g/mol
LogP1.09
Rot. Bonds1

About N-[(1S,2S)-1-hydroxy-4-methyl-2,3-dihydro-1H-inden-2-yl]acetamide

N-[(1S,2S)-1-hydroxy-4-methyl-2,3-dihydro-1H-inden-2-yl]acetamide (PubChem CID 146168558) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[(1S,2S)-1-hydroxy-4-methyl-2,3-dihydro-1H-inden-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-hydroxy-4-methyl-2,3-dihydro-1H-inden-2-yl]acetamide
PubChem CID146168558
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-[(1S,2S)-1-hydroxy-4-methyl-2,3-dihydro-1H-inden-2-yl]acetamide
SMILESCC(=O)N[C@H]1Cc2c(C)cccc2[C@@H]1O
InChIInChI=1S/C12H15NO2/c1-7-4-3-5-9-10(7)6-11(12(9)15)13-8(2)14/h3-5,11-12,15H,6H2,1-2H3,(H,13,14)/t11-,12-/m0/s1
InChIKeyUTQROAAKHBLUQC-RYUDHWBXSA-N
XLogP1.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-hydroxy-4-methyl-2,3-dihydro-1H-inden-2-yl]acetamide?
The IUPAC name of N-[(1S,2S)-1-hydroxy-4-methyl-2,3-dihydro-1H-inden-2-yl]acetamide (CID 146168558) is N-[(1S,2S)-1-hydroxy-4-methyl-2,3-dihydro-1H-inden-2-yl]acetamide.
What is the SMILES notation for N-[(1S,2S)-1-hydroxy-4-methyl-2,3-dihydro-1H-inden-2-yl]acetamide?
The canonical SMILES for N-[(1S,2S)-1-hydroxy-4-methyl-2,3-dihydro-1H-inden-2-yl]acetamide is CC(=O)N[C@H]1Cc2c(C)cccc2[C@@H]1O.
What is the InChIKey of N-[(1S,2S)-1-hydroxy-4-methyl-2,3-dihydro-1H-inden-2-yl]acetamide?
The InChIKey is UTQROAAKHBLUQC-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H15NO2/c1-7-4-3-5-9-10(7)6-11(12(9)15)13-8(2)14/h3-5,11-12,15H,6H2,1-2H3,(H,13,14)/t11-,12-/m0/s1.
What are the key properties of N-[(1S,2S)-1-hydroxy-4-methyl-2,3-dihydro-1H-inden-2-yl]acetamide?
N-[(1S,2S)-1-hydroxy-4-methyl-2,3-dihydro-1H-inden-2-yl]acetamide has a molecular weight of 205.26 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-hydroxy-4-methyl-2,3-dihydro-1H-inden-2-yl]acetamide is sourced from PubChem (CID 146168558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).