N-(5-hydroxy-1,2-dimethylindol-3-yl)acetamide

C12H14N2O2 — CID 12616715

IUPACN-(5-hydroxy-1,2-dimethylindol-3-yl)acetamide
SMILESCC(=O)Nc1c(C)n(C)c2ccc(O)cc12
InChIInChI=1S/C12H14N2O2/c1-7-12(13-8(2)15)10-6-9(16)4-5-11(10)14(7)3/h4-6,16H,1-3H3,(H,13,15)
InChIKeyMOYFTSZZLVOYKE-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.15
Rot. Bonds1

About N-(5-hydroxy-1,2-dimethylindol-3-yl)acetamide

N-(5-hydroxy-1,2-dimethylindol-3-yl)acetamide (PubChem CID 12616715) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(5-hydroxy-1,2-dimethylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-hydroxy-1,2-dimethylindol-3-yl)acetamide
PubChem CID12616715
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-(5-hydroxy-1,2-dimethylindol-3-yl)acetamide
SMILESCC(=O)Nc1c(C)n(C)c2ccc(O)cc12
InChIInChI=1S/C12H14N2O2/c1-7-12(13-8(2)15)10-6-9(16)4-5-11(10)14(7)3/h4-6,16H,1-3H3,(H,13,15)
InChIKeyMOYFTSZZLVOYKE-UHFFFAOYSA-N
XLogP2.15
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-1,2-dimethylindol-3-yl)acetamide?
The IUPAC name of N-(5-hydroxy-1,2-dimethylindol-3-yl)acetamide (CID 12616715) is N-(5-hydroxy-1,2-dimethylindol-3-yl)acetamide.
What is the SMILES notation for N-(5-hydroxy-1,2-dimethylindol-3-yl)acetamide?
The canonical SMILES for N-(5-hydroxy-1,2-dimethylindol-3-yl)acetamide is CC(=O)Nc1c(C)n(C)c2ccc(O)cc12.
What is the InChIKey of N-(5-hydroxy-1,2-dimethylindol-3-yl)acetamide?
The InChIKey is MOYFTSZZLVOYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-7-12(13-8(2)15)10-6-9(16)4-5-11(10)14(7)3/h4-6,16H,1-3H3,(H,13,15).
What are the key properties of N-(5-hydroxy-1,2-dimethylindol-3-yl)acetamide?
N-(5-hydroxy-1,2-dimethylindol-3-yl)acetamide has a molecular weight of 218.26 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-1,2-dimethylindol-3-yl)acetamide is sourced from PubChem (CID 12616715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).