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

C11H13NO2 — CID 112710978

IUPAC2-(5-methoxy-2,3-dihydro-1H-indol-2-yl)acetaldehyde
SMILESCOc1ccc2c(c1)CC(CC=O)N2
InChIInChI=1S/C11H13NO2/c1-14-10-2-3-11-8(7-10)6-9(12-11)4-5-13/h2-3,5,7,9,12H,4,6H2,1H3
InChIKeyRTQSBSOJUXBXIP-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.62
Rot. Bonds3

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

2-(5-methoxy-2,3-dihydro-1H-indol-2-yl)acetaldehyde (PubChem CID 112710978) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(5-methoxy-2,3-dihydro-1H-indol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-methoxy-2,3-dihydro-1H-indol-2-yl)acetaldehyde
PubChem CID112710978
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-(5-methoxy-2,3-dihydro-1H-indol-2-yl)acetaldehyde
SMILESCOc1ccc2c(c1)CC(CC=O)N2
InChIInChI=1S/C11H13NO2/c1-14-10-2-3-11-8(7-10)6-9(12-11)4-5-13/h2-3,5,7,9,12H,4,6H2,1H3
InChIKeyRTQSBSOJUXBXIP-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-N,N-dimethylmethanamine
CID 84739877
(2S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 131025344
2-(6-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethanol
CID 105460503
6-methoxy-1,2,3,4-tetrahydroquinoline-2-carbaldehyde
CID 140970249
5-methoxy-N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 70908053
ethyl (3R)-6-methoxy-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate
CID 166139289
6-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 12715494
2-(2,4-dimethylphenyl)-5-methoxy-2,3-dihydro-1H-indole
CID 4046261
3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 62375759
7-methoxy-2-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 12827785
3-(2,2-dimethylpropyl)-6-methoxy-3,4-dihydro-2H-isoquinolin-1-one
CID 20608553
6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride
CID 70503014

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2,3-dihydro-1H-indol-2-yl)acetaldehyde?
The IUPAC name of 2-(5-methoxy-2,3-dihydro-1H-indol-2-yl)acetaldehyde (CID 112710978) is 2-(5-methoxy-2,3-dihydro-1H-indol-2-yl)acetaldehyde.
What is the SMILES notation for 2-(5-methoxy-2,3-dihydro-1H-indol-2-yl)acetaldehyde?
The canonical SMILES for 2-(5-methoxy-2,3-dihydro-1H-indol-2-yl)acetaldehyde is COc1ccc2c(c1)CC(CC=O)N2.
What is the InChIKey of 2-(5-methoxy-2,3-dihydro-1H-indol-2-yl)acetaldehyde?
The InChIKey is RTQSBSOJUXBXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-10-2-3-11-8(7-10)6-9(12-11)4-5-13/h2-3,5,7,9,12H,4,6H2,1H3.
What are the key properties of 2-(5-methoxy-2,3-dihydro-1H-indol-2-yl)acetaldehyde?
2-(5-methoxy-2,3-dihydro-1H-indol-2-yl)acetaldehyde has a molecular weight of 191.23 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2,3-dihydro-1H-indol-2-yl)acetaldehyde is sourced from PubChem (CID 112710978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).