2-[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetaldehyde

C18H14ClNO2 — CID 76754457

IUPAC2-[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetaldehyde
SMILESO=CCN1C(=O)C2(CC2c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C18H14ClNO2/c19-13-7-5-12(6-8-13)15-11-18(15)14-3-1-2-4-16(14)20(9-10-21)17(18)22/h1-8,10,15H,9,11H2
InChIKeyXURNWOANODJRJH-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.31
Rot. Bonds3

About 2-[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetaldehyde

2-[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetaldehyde (PubChem CID 76754457) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetaldehyde
PubChem CID76754457
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Name2-[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetaldehyde
SMILESO=CCN1C(=O)C2(CC2c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C18H14ClNO2/c19-13-7-5-12(6-8-13)15-11-18(15)14-3-1-2-4-16(14)20(9-10-21)17(18)22/h1-8,10,15H,9,11H2
InChIKeyXURNWOANODJRJH-UHFFFAOYSA-N
XLogP3.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetaldehyde?
The IUPAC name of 2-[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetaldehyde (CID 76754457) is 2-[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetaldehyde?
The canonical SMILES for 2-[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetaldehyde is O=CCN1C(=O)C2(CC2c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 2-[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetaldehyde?
The InChIKey is XURNWOANODJRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c19-13-7-5-12(6-8-13)15-11-18(15)14-3-1-2-4-16(14)20(9-10-21)17(18)22/h1-8,10,15H,9,11H2.
What are the key properties of 2-[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetaldehyde?
2-[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetaldehyde has a molecular weight of 311.77 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]acetaldehyde is sourced from PubChem (CID 76754457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).