2-[3-(hydroxymethyl)-2-methylindol-1-yl]acetamide

C12H14N2O2 — CID 21386785

IUPAC2-[3-(hydroxymethyl)-2-methylindol-1-yl]acetamide
SMILESCc1c(CO)c2ccccc2n1CC(N)=O
InChIInChI=1S/C12H14N2O2/c1-8-10(7-15)9-4-2-3-5-11(9)14(8)6-12(13)16/h2-5,15H,6-7H2,1H3,(H2,13,16)
InChIKeyJOYVJRMLZMDJSW-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.93
Rot. Bonds3

About 2-[3-(hydroxymethyl)-2-methylindol-1-yl]acetamide

2-[3-(hydroxymethyl)-2-methylindol-1-yl]acetamide (PubChem CID 21386785) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)-2-methylindol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)-2-methylindol-1-yl]acetamide
PubChem CID21386785
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-[3-(hydroxymethyl)-2-methylindol-1-yl]acetamide
SMILESCc1c(CO)c2ccccc2n1CC(N)=O
InChIInChI=1S/C12H14N2O2/c1-8-10(7-15)9-4-2-3-5-11(9)14(8)6-12(13)16/h2-5,15H,6-7H2,1H3,(H2,13,16)
InChIKeyJOYVJRMLZMDJSW-UHFFFAOYSA-N
XLogP0.93
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)-2-methylindol-1-yl]acetamide?
The IUPAC name of 2-[3-(hydroxymethyl)-2-methylindol-1-yl]acetamide (CID 21386785) is 2-[3-(hydroxymethyl)-2-methylindol-1-yl]acetamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)-2-methylindol-1-yl]acetamide?
The canonical SMILES for 2-[3-(hydroxymethyl)-2-methylindol-1-yl]acetamide is Cc1c(CO)c2ccccc2n1CC(N)=O.
What is the InChIKey of 2-[3-(hydroxymethyl)-2-methylindol-1-yl]acetamide?
The InChIKey is JOYVJRMLZMDJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-10(7-15)9-4-2-3-5-11(9)14(8)6-12(13)16/h2-5,15H,6-7H2,1H3,(H2,13,16).
What are the key properties of 2-[3-(hydroxymethyl)-2-methylindol-1-yl]acetamide?
2-[3-(hydroxymethyl)-2-methylindol-1-yl]acetamide has a molecular weight of 218.26 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)-2-methylindol-1-yl]acetamide is sourced from PubChem (CID 21386785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).