acetaldehyde;1H-indole

C10H11NO — CID 22501409

IUPACacetaldehyde;1H-indole
SMILESCC=O.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C2H4O/c1-2-4-8-7(3-1)5-6-9-8;1-2-3/h1-6,9H;2H,1H3
InChIKeyALLMTRVKKCVGCP-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.37
Rot. Bonds

About acetaldehyde;1H-indole

acetaldehyde;1H-indole (PubChem CID 22501409) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is acetaldehyde;1H-indole.

Molecular Properties

Compound Nameacetaldehyde;1H-indole
PubChem CID22501409
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Nameacetaldehyde;1H-indole
SMILESCC=O.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C2H4O/c1-2-4-8-7(3-1)5-6-9-8;1-2-3/h1-6,9H;2H,1H3
InChIKeyALLMTRVKKCVGCP-UHFFFAOYSA-N
XLogP2.37
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;1H-indole?
The IUPAC name of acetaldehyde;1H-indole (CID 22501409) is acetaldehyde;1H-indole.
What is the SMILES notation for acetaldehyde;1H-indole?
The canonical SMILES for acetaldehyde;1H-indole is CC=O.c1ccc2[nH]ccc2c1.
What is the InChIKey of acetaldehyde;1H-indole?
The InChIKey is ALLMTRVKKCVGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C2H4O/c1-2-4-8-7(3-1)5-6-9-8;1-2-3/h1-6,9H;2H,1H3.
What are the key properties of acetaldehyde;1H-indole?
acetaldehyde;1H-indole has a molecular weight of 161.20 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;1H-indole is sourced from PubChem (CID 22501409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).