2-(7-chloro-2,3-dihydro-1H-indol-2-yl)acetaldehyde

C10H10ClNO — CID 112711575

IUPAC2-(7-chloro-2,3-dihydro-1H-indol-2-yl)acetaldehyde
SMILESO=CCC1Cc2cccc(Cl)c2N1
InChIInChI=1S/C10H10ClNO/c11-9-3-1-2-7-6-8(4-5-13)12-10(7)9/h1-3,5,8,12H,4,6H2
InChIKeyNUOXLCYWWQDIKY-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.27
Rot. Bonds2

About 2-(7-chloro-2,3-dihydro-1H-indol-2-yl)acetaldehyde

2-(7-chloro-2,3-dihydro-1H-indol-2-yl)acetaldehyde (PubChem CID 112711575) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-(7-chloro-2,3-dihydro-1H-indol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(7-chloro-2,3-dihydro-1H-indol-2-yl)acetaldehyde
PubChem CID112711575
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name2-(7-chloro-2,3-dihydro-1H-indol-2-yl)acetaldehyde
SMILESO=CCC1Cc2cccc(Cl)c2N1
InChIInChI=1S/C10H10ClNO/c11-9-3-1-2-7-6-8(4-5-13)12-10(7)9/h1-3,5,8,12H,4,6H2
InChIKeyNUOXLCYWWQDIKY-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
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

2-(4-chloro-2,3-dihydro-1H-inden-2-yl)acetaldehyde
CID 105448649
(8-chloro-1,2,3,4-tetrahydroquinolin-2-yl)methanol
CID 83880243
(2R)-7-chloro-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 130682483
7-chloro-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 3403693
2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetaldehyde
CID 105448650
7-chloro-2-pyridin-3-yl-2,3-dihydro-1H-indole
CID 5137664
(2R)-8-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 96613428
2-(2-chlorophenyl)-7-ethyl-2,3-dihydro-1H-indole
CID 5035963
3-(azetidin-1-yl)-8-chloro-1,2,3,4-tetrahydroquinoline
CID 105480170
7-chloro-2-(3-methoxyphenyl)-2,3-dihydro-1H-indole
CID 3689001
5-chloro-3-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84632115
8-chloro-3-(methoxymethyl)-1,2,3,4-tetrahydroquinoline
CID 83885689

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2,3-dihydro-1H-indol-2-yl)acetaldehyde?
The IUPAC name of 2-(7-chloro-2,3-dihydro-1H-indol-2-yl)acetaldehyde (CID 112711575) is 2-(7-chloro-2,3-dihydro-1H-indol-2-yl)acetaldehyde.
What is the SMILES notation for 2-(7-chloro-2,3-dihydro-1H-indol-2-yl)acetaldehyde?
The canonical SMILES for 2-(7-chloro-2,3-dihydro-1H-indol-2-yl)acetaldehyde is O=CCC1Cc2cccc(Cl)c2N1.
What is the InChIKey of 2-(7-chloro-2,3-dihydro-1H-indol-2-yl)acetaldehyde?
The InChIKey is NUOXLCYWWQDIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c11-9-3-1-2-7-6-8(4-5-13)12-10(7)9/h1-3,5,8,12H,4,6H2.
What are the key properties of 2-(7-chloro-2,3-dihydro-1H-indol-2-yl)acetaldehyde?
2-(7-chloro-2,3-dihydro-1H-indol-2-yl)acetaldehyde has a molecular weight of 195.65 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-2,3-dihydro-1H-indol-2-yl)acetaldehyde is sourced from PubChem (CID 112711575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).