5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde

C10H11NO2 — CID 89159810

IUPAC5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde
SMILESCOc1ccc2c(c1)C(C=O)CN2
InChIInChI=1S/C10H11NO2/c1-13-8-2-3-10-9(4-8)7(6-12)5-11-10/h2-4,6-7,11H,5H2,1H3
InChIKeyIIJUPEBDMFSGAJ-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.40
Rot. Bonds2

About 5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde

5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde (PubChem CID 89159810) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde
PubChem CID89159810
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde
SMILESCOc1ccc2c(c1)C(C=O)CN2
InChIInChI=1S/C10H11NO2/c1-13-8-2-3-10-9(4-8)7(6-12)5-11-10/h2-4,6-7,11H,5H2,1H3
InChIKeyIIJUPEBDMFSGAJ-UHFFFAOYSA-N
XLogP1.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.40
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

5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106986376
(3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole
CID 124549466
3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106985791
3-(1-adamantyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106985853
3,7-dimethoxy-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 106110899
3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106986010
2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)propan-1-amine
CID 83860328
(3R,4S)-6-methoxy-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 101139837
(3S)-7-methoxy-3-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 66651136
ethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate
CID 23652761
9-methoxy-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine
CID 84627031
5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indole
CID 115004341

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde?
The IUPAC name of 5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde (CID 89159810) is 5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde is COc1ccc2c(c1)C(C=O)CN2.
What is the InChIKey of 5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde?
The InChIKey is IIJUPEBDMFSGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-13-8-2-3-10-9(4-8)7(6-12)5-11-10/h2-4,6-7,11H,5H2,1H3.
What are the key properties of 5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde?
5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde has a molecular weight of 177.20 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde is sourced from PubChem (CID 89159810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).