2-[4-(hydroxymethyl)-1H-indol-2-yl]acetaldehyde

C11H11NO2 — CID 151663676

IUPAC2-[4-(hydroxymethyl)-1H-indol-2-yl]acetaldehyde
SMILESO=CCc1cc2c(CO)cccc2[nH]1
InChIInChI=1S/C11H11NO2/c13-5-4-9-6-10-8(7-14)2-1-3-11(10)12-9/h1-3,5-6,12,14H,4,7H2
InChIKeyQXBMBVZBCXHCFW-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.40
Rot. Bonds3

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

2-[4-(hydroxymethyl)-1H-indol-2-yl]acetaldehyde (PubChem CID 151663676) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-1H-indol-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-1H-indol-2-yl]acetaldehyde
PubChem CID151663676
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-[4-(hydroxymethyl)-1H-indol-2-yl]acetaldehyde
SMILESO=CCc1cc2c(CO)cccc2[nH]1
InChIInChI=1S/C11H11NO2/c13-5-4-9-6-10-8(7-14)2-1-3-11(10)12-9/h1-3,5-6,12,14H,4,7H2
InChIKeyQXBMBVZBCXHCFW-UHFFFAOYSA-N
XLogP1.40
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-1H-indol-2-yl]acetaldehyde?
The IUPAC name of 2-[4-(hydroxymethyl)-1H-indol-2-yl]acetaldehyde (CID 151663676) is 2-[4-(hydroxymethyl)-1H-indol-2-yl]acetaldehyde.
What is the SMILES notation for 2-[4-(hydroxymethyl)-1H-indol-2-yl]acetaldehyde?
The canonical SMILES for 2-[4-(hydroxymethyl)-1H-indol-2-yl]acetaldehyde is O=CCc1cc2c(CO)cccc2[nH]1.
What is the InChIKey of 2-[4-(hydroxymethyl)-1H-indol-2-yl]acetaldehyde?
The InChIKey is QXBMBVZBCXHCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-5-4-9-6-10-8(7-14)2-1-3-11(10)12-9/h1-3,5-6,12,14H,4,7H2.
What are the key properties of 2-[4-(hydroxymethyl)-1H-indol-2-yl]acetaldehyde?
2-[4-(hydroxymethyl)-1H-indol-2-yl]acetaldehyde has a molecular weight of 189.21 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-1H-indol-2-yl]acetaldehyde is sourced from PubChem (CID 151663676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).