2-(5-chloro-2,3-dihydro-1H-indol-3-yl)acetaldehyde

C10H10ClNO — CID 112711571

IUPAC2-(5-chloro-2,3-dihydro-1H-indol-3-yl)acetaldehyde
SMILESO=CCC1CNc2ccc(Cl)cc21
InChIInChI=1S/C10H10ClNO/c11-8-1-2-10-9(5-8)7(3-4-13)6-12-10/h1-2,4-5,7,12H,3,6H2
InChIKeyOAHRKOWBWSMAJO-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.44
Rot. Bonds2

About 2-(5-chloro-2,3-dihydro-1H-indol-3-yl)acetaldehyde

2-(5-chloro-2,3-dihydro-1H-indol-3-yl)acetaldehyde (PubChem CID 112711571) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1H-indol-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1H-indol-3-yl)acetaldehyde
PubChem CID112711571
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name2-(5-chloro-2,3-dihydro-1H-indol-3-yl)acetaldehyde
SMILESO=CCC1CNc2ccc(Cl)cc21
InChIInChI=1S/C10H10ClNO/c11-8-1-2-10-9(5-8)7(3-4-13)6-12-10/h1-2,4-5,7,12H,3,6H2
InChIKeyOAHRKOWBWSMAJO-UHFFFAOYSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-5-chloro-3-ethyl-2,3-dihydro-1H-indole
CID 95430825
5-chloro-3-(cyclopentylmethyl)-2,3-dihydro-1H-indole
CID 106985998
ethyl 3-(5-chloro-2,3-dihydro-1H-indol-3-yl)propanoate
CID 70824239
1-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylmethanamine
CID 105464651
2-(5-chloro-2,3-dihydro-1H-indol-3-yl)propan-2-ol
CID 117202115
6-chloro-3-fluoro-2,3-dihydro-1H-indole
CID 105435002
5-fluoro-3-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]-2,3-dihydro-1H-indole
CID 50902602
N-(4-chloro-2-methylphenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80571755
5-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106820143
4-(6-chloro-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl)morpholine
CID 82275757
N-(3-chlorophenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573961
7-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline
CID 115472197

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1H-indol-3-yl)acetaldehyde?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1H-indol-3-yl)acetaldehyde (CID 112711571) is 2-(5-chloro-2,3-dihydro-1H-indol-3-yl)acetaldehyde.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1H-indol-3-yl)acetaldehyde?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1H-indol-3-yl)acetaldehyde is O=CCC1CNc2ccc(Cl)cc21.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1H-indol-3-yl)acetaldehyde?
The InChIKey is OAHRKOWBWSMAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c11-8-1-2-10-9(5-8)7(3-4-13)6-12-10/h1-2,4-5,7,12H,3,6H2.
What are the key properties of 2-(5-chloro-2,3-dihydro-1H-indol-3-yl)acetaldehyde?
2-(5-chloro-2,3-dihydro-1H-indol-3-yl)acetaldehyde has a molecular weight of 195.65 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1H-indol-3-yl)acetaldehyde is sourced from PubChem (CID 112711571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).