2-[4-(hydroxymethyl)indol-1-yl]acetamide

C11H12N2O2 — CID 28947081

IUPAC2-[4-(hydroxymethyl)indol-1-yl]acetamide
SMILESNC(=O)Cn1ccc2c(CO)cccc21
InChIInChI=1S/C11H12N2O2/c12-11(15)6-13-5-4-9-8(7-14)2-1-3-10(9)13/h1-5,14H,6-7H2,(H2,12,15)
InChIKeyVKCBIQQBUYYVRQ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.62
Rot. Bonds3

About 2-[4-(hydroxymethyl)indol-1-yl]acetamide

2-[4-(hydroxymethyl)indol-1-yl]acetamide (PubChem CID 28947081) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)indol-1-yl]acetamide
PubChem CID28947081
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-[4-(hydroxymethyl)indol-1-yl]acetamide
SMILESNC(=O)Cn1ccc2c(CO)cccc21
InChIInChI=1S/C11H12N2O2/c12-11(15)6-13-5-4-9-8(7-14)2-1-3-10(9)13/h1-5,14H,6-7H2,(H2,12,15)
InChIKeyVKCBIQQBUYYVRQ-UHFFFAOYSA-N
XLogP0.62
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)indol-1-yl]acetamide?
The IUPAC name of 2-[4-(hydroxymethyl)indol-1-yl]acetamide (CID 28947081) is 2-[4-(hydroxymethyl)indol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)indol-1-yl]acetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)indol-1-yl]acetamide is NC(=O)Cn1ccc2c(CO)cccc21.
What is the InChIKey of 2-[4-(hydroxymethyl)indol-1-yl]acetamide?
The InChIKey is VKCBIQQBUYYVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-11(15)6-13-5-4-9-8(7-14)2-1-3-10(9)13/h1-5,14H,6-7H2,(H2,12,15).
What are the key properties of 2-[4-(hydroxymethyl)indol-1-yl]acetamide?
2-[4-(hydroxymethyl)indol-1-yl]acetamide has a molecular weight of 204.23 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)indol-1-yl]acetamide is sourced from PubChem (CID 28947081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).