1-(3-methoxypropyl)-2-methylindole-3-carbaldehyde

C14H17NO2 — CID 59177546

IUPAC1-(3-methoxypropyl)-2-methylindole-3-carbaldehyde
SMILESCOCCCn1c(C)c(C=O)c2ccccc21
InChIInChI=1S/C14H17NO2/c1-11-13(10-16)12-6-3-4-7-14(12)15(11)8-5-9-17-2/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyPWFHDFMGKQDPRF-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.80
Rot. Bonds5

About 1-(3-methoxypropyl)-2-methylindole-3-carbaldehyde

1-(3-methoxypropyl)-2-methylindole-3-carbaldehyde (PubChem CID 59177546) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-2-methylindole-3-carbaldehyde.

Molecular Properties

Compound Name1-(3-methoxypropyl)-2-methylindole-3-carbaldehyde
PubChem CID59177546
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-(3-methoxypropyl)-2-methylindole-3-carbaldehyde
SMILESCOCCCn1c(C)c(C=O)c2ccccc21
InChIInChI=1S/C14H17NO2/c1-11-13(10-16)12-6-3-4-7-14(12)15(11)8-5-9-17-2/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyPWFHDFMGKQDPRF-UHFFFAOYSA-N
XLogP2.80
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(3-methoxypropyl)-2-methylindole-3-carbaldehyde?
The IUPAC name of 1-(3-methoxypropyl)-2-methylindole-3-carbaldehyde (CID 59177546) is 1-(3-methoxypropyl)-2-methylindole-3-carbaldehyde.
What is the SMILES notation for 1-(3-methoxypropyl)-2-methylindole-3-carbaldehyde?
The canonical SMILES for 1-(3-methoxypropyl)-2-methylindole-3-carbaldehyde is COCCCn1c(C)c(C=O)c2ccccc21.
What is the InChIKey of 1-(3-methoxypropyl)-2-methylindole-3-carbaldehyde?
The InChIKey is PWFHDFMGKQDPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-11-13(10-16)12-6-3-4-7-14(12)15(11)8-5-9-17-2/h3-4,6-7,10H,5,8-9H2,1-2H3.
What are the key properties of 1-(3-methoxypropyl)-2-methylindole-3-carbaldehyde?
1-(3-methoxypropyl)-2-methylindole-3-carbaldehyde has a molecular weight of 231.30 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-2-methylindole-3-carbaldehyde is sourced from PubChem (CID 59177546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).