1-(3-hydroxypropyl)indole-6-carbaldehyde

C12H13NO2 — CID 102911092

IUPAC1-(3-hydroxypropyl)indole-6-carbaldehyde
SMILESO=Cc1ccc2ccn(CCCO)c2c1
InChIInChI=1S/C12H13NO2/c14-7-1-5-13-6-4-11-3-2-10(9-15)8-12(11)13/h2-4,6,8-9,14H,1,5,7H2
InChIKeyFRRBPXYCMKADOH-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.84
Rot. Bonds4

About 1-(3-hydroxypropyl)indole-6-carbaldehyde

1-(3-hydroxypropyl)indole-6-carbaldehyde (PubChem CID 102911092) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)indole-6-carbaldehyde.

Molecular Properties

Compound Name1-(3-hydroxypropyl)indole-6-carbaldehyde
PubChem CID102911092
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-(3-hydroxypropyl)indole-6-carbaldehyde
SMILESO=Cc1ccc2ccn(CCCO)c2c1
InChIInChI=1S/C12H13NO2/c14-7-1-5-13-6-4-11-3-2-10(9-15)8-12(11)13/h2-4,6,8-9,14H,1,5,7H2
InChIKeyFRRBPXYCMKADOH-UHFFFAOYSA-N
XLogP1.84
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)indole-6-carbaldehyde?
The IUPAC name of 1-(3-hydroxypropyl)indole-6-carbaldehyde (CID 102911092) is 1-(3-hydroxypropyl)indole-6-carbaldehyde.
What is the SMILES notation for 1-(3-hydroxypropyl)indole-6-carbaldehyde?
The canonical SMILES for 1-(3-hydroxypropyl)indole-6-carbaldehyde is O=Cc1ccc2ccn(CCCO)c2c1.
What is the InChIKey of 1-(3-hydroxypropyl)indole-6-carbaldehyde?
The InChIKey is FRRBPXYCMKADOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-7-1-5-13-6-4-11-3-2-10(9-15)8-12(11)13/h2-4,6,8-9,14H,1,5,7H2.
What are the key properties of 1-(3-hydroxypropyl)indole-6-carbaldehyde?
1-(3-hydroxypropyl)indole-6-carbaldehyde has a molecular weight of 203.24 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)indole-6-carbaldehyde is sourced from PubChem (CID 102911092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).