2-[6-(2-oxoethyl)-9H-carbazol-3-yl]acetaldehyde

C16H13NO2 — CID 87373606

IUPAC2-[6-(2-oxoethyl)-9H-carbazol-3-yl]acetaldehyde
SMILESO=CCc1ccc2[nH]c3ccc(CC=O)cc3c2c1
InChIInChI=1S/C16H13NO2/c18-7-5-11-1-3-15-13(9-11)14-10-12(6-8-19)2-4-16(14)17-15/h1-4,7-10,17H,5-6H2
InChIKeyQYEHOYGFYAFHDK-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.80
Rot. Bonds4

About 2-[6-(2-oxoethyl)-9H-carbazol-3-yl]acetaldehyde

2-[6-(2-oxoethyl)-9H-carbazol-3-yl]acetaldehyde (PubChem CID 87373606) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[6-(2-oxoethyl)-9H-carbazol-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[6-(2-oxoethyl)-9H-carbazol-3-yl]acetaldehyde
PubChem CID87373606
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name2-[6-(2-oxoethyl)-9H-carbazol-3-yl]acetaldehyde
SMILESO=CCc1ccc2[nH]c3ccc(CC=O)cc3c2c1
InChIInChI=1S/C16H13NO2/c18-7-5-11-1-3-15-13(9-11)14-10-12(6-8-19)2-4-16(14)17-15/h1-4,7-10,17H,5-6H2
InChIKeyQYEHOYGFYAFHDK-UHFFFAOYSA-N
XLogP2.80
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
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-[6-(2-oxoethyl)-9H-carbazol-3-yl]acetaldehyde?
The IUPAC name of 2-[6-(2-oxoethyl)-9H-carbazol-3-yl]acetaldehyde (CID 87373606) is 2-[6-(2-oxoethyl)-9H-carbazol-3-yl]acetaldehyde.
What is the SMILES notation for 2-[6-(2-oxoethyl)-9H-carbazol-3-yl]acetaldehyde?
The canonical SMILES for 2-[6-(2-oxoethyl)-9H-carbazol-3-yl]acetaldehyde is O=CCc1ccc2[nH]c3ccc(CC=O)cc3c2c1.
What is the InChIKey of 2-[6-(2-oxoethyl)-9H-carbazol-3-yl]acetaldehyde?
The InChIKey is QYEHOYGFYAFHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-7-5-11-1-3-15-13(9-11)14-10-12(6-8-19)2-4-16(14)17-15/h1-4,7-10,17H,5-6H2.
What are the key properties of 2-[6-(2-oxoethyl)-9H-carbazol-3-yl]acetaldehyde?
2-[6-(2-oxoethyl)-9H-carbazol-3-yl]acetaldehyde has a molecular weight of 251.28 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-oxoethyl)-9H-carbazol-3-yl]acetaldehyde is sourced from PubChem (CID 87373606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).