2-(3-methoxypropyl)-1H-indole-3-carbaldehyde

C13H15NO2 — CID 87256999

IUPAC2-(3-methoxypropyl)-1H-indole-3-carbaldehyde
SMILESCOCCCc1[nH]c2ccccc2c1C=O
InChIInChI=1S/C13H15NO2/c1-16-8-4-7-13-11(9-15)10-5-2-3-6-12(10)14-13/h2-3,5-6,9,14H,4,7-8H2,1H3
InChIKeySNVMHNGOMXGJHB-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.56
Rot. Bonds5

About 2-(3-methoxypropyl)-1H-indole-3-carbaldehyde

2-(3-methoxypropyl)-1H-indole-3-carbaldehyde (PubChem CID 87256999) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(3-methoxypropyl)-1H-indole-3-carbaldehyde
PubChem CID87256999
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(3-methoxypropyl)-1H-indole-3-carbaldehyde
SMILESCOCCCc1[nH]c2ccccc2c1C=O
InChIInChI=1S/C13H15NO2/c1-16-8-4-7-13-11(9-15)10-5-2-3-6-12(10)14-13/h2-3,5-6,9,14H,4,7-8H2,1H3
InChIKeySNVMHNGOMXGJHB-UHFFFAOYSA-N
XLogP2.56
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(3-methoxypropyl)-1H-indole-3-carbaldehyde (CID 87256999) is 2-(3-methoxypropyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(3-methoxypropyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(3-methoxypropyl)-1H-indole-3-carbaldehyde is COCCCc1[nH]c2ccccc2c1C=O.
What is the InChIKey of 2-(3-methoxypropyl)-1H-indole-3-carbaldehyde?
The InChIKey is SNVMHNGOMXGJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-16-8-4-7-13-11(9-15)10-5-2-3-6-12(10)14-13/h2-3,5-6,9,14H,4,7-8H2,1H3.
What are the key properties of 2-(3-methoxypropyl)-1H-indole-3-carbaldehyde?
2-(3-methoxypropyl)-1H-indole-3-carbaldehyde has a molecular weight of 217.27 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 87256999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).