2-(7-chloro-1-ethylindol-3-yl)acetaldehyde

C12H12ClNO — CID 117197652

IUPAC2-(7-chloro-1-ethylindol-3-yl)acetaldehyde
SMILESCCn1cc(CC=O)c2cccc(Cl)c21
InChIInChI=1S/C12H12ClNO/c1-2-14-8-9(6-7-15)10-4-3-5-11(13)12(10)14/h3-5,7-8H,2,6H2,1H3
InChIKeyQYUDONFCEJJLBY-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.06
Rot. Bonds3

About 2-(7-chloro-1-ethylindol-3-yl)acetaldehyde

2-(7-chloro-1-ethylindol-3-yl)acetaldehyde (PubChem CID 117197652) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-(7-chloro-1-ethylindol-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(7-chloro-1-ethylindol-3-yl)acetaldehyde
PubChem CID117197652
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name2-(7-chloro-1-ethylindol-3-yl)acetaldehyde
SMILESCCn1cc(CC=O)c2cccc(Cl)c21
InChIInChI=1S/C12H12ClNO/c1-2-14-8-9(6-7-15)10-4-3-5-11(13)12(10)14/h3-5,7-8H,2,6H2,1H3
InChIKeyQYUDONFCEJJLBY-UHFFFAOYSA-N
XLogP3.06
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(7-chloro-1-ethylindol-3-yl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7-chloro-1-ethylindol-3-yl)methanol
CID 83522863
3-(7-chloro-1-ethylindol-3-yl)propanoic acid
CID 117197744
1-(7-chloro-1-ethylindol-3-yl)-2-methylpropan-2-ol
CID 117197676
N-[(7-chloro-1-ethylindol-3-yl)methyl]cyclopropanamine
CID 117182263
1-ethyl-3-(hydroxymethyl)indol-7-ol
CID 117182594
2-(7-bromo-1-prop-2-enylindol-3-yl)acetaldehyde
CID 141150463
2-(1-ethyl-4-methoxyindol-3-yl)acetaldehyde
CID 117195026
1-ethyl-3-(hydroxymethyl)indole-7-carboxylic acid
CID 117182666
methanamine;2-(1-methylindol-3-yl)acetaldehyde
CID 145482195
1-(1-butyl-7-chloroindol-3-yl)ethanone
CID 117098510
methyl 2-(7-chloro-1-methylindol-3-yl)acetate
CID 84741199
1-(7-bromo-1-ethylindol-3-yl)propan-2-one
CID 117197654

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-ethylindol-3-yl)acetaldehyde?
The IUPAC name of 2-(7-chloro-1-ethylindol-3-yl)acetaldehyde (CID 117197652) is 2-(7-chloro-1-ethylindol-3-yl)acetaldehyde.
What is the SMILES notation for 2-(7-chloro-1-ethylindol-3-yl)acetaldehyde?
The canonical SMILES for 2-(7-chloro-1-ethylindol-3-yl)acetaldehyde is CCn1cc(CC=O)c2cccc(Cl)c21.
What is the InChIKey of 2-(7-chloro-1-ethylindol-3-yl)acetaldehyde?
The InChIKey is QYUDONFCEJJLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c1-2-14-8-9(6-7-15)10-4-3-5-11(13)12(10)14/h3-5,7-8H,2,6H2,1H3.
What are the key properties of 2-(7-chloro-1-ethylindol-3-yl)acetaldehyde?
2-(7-chloro-1-ethylindol-3-yl)acetaldehyde has a molecular weight of 221.69 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-ethylindol-3-yl)acetaldehyde is sourced from PubChem (CID 117197652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).