3-(1-methylindol-3-yl)oxetane-3-carbaldehyde

C13H13NO2 — CID 116872351

IUPAC3-(1-methylindol-3-yl)oxetane-3-carbaldehyde
SMILESCn1cc(C2(C=O)COC2)c2ccccc21
InChIInChI=1S/C13H13NO2/c1-14-6-11(13(7-15)8-16-9-13)10-4-2-3-5-12(10)14/h2-7H,8-9H2,1H3
InChIKeyPUGIQAXWVSAJIF-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.65
Rot. Bonds2

About 3-(1-methylindol-3-yl)oxetane-3-carbaldehyde

3-(1-methylindol-3-yl)oxetane-3-carbaldehyde (PubChem CID 116872351) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)oxetane-3-carbaldehyde.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)oxetane-3-carbaldehyde
PubChem CID116872351
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3-(1-methylindol-3-yl)oxetane-3-carbaldehyde
SMILESCn1cc(C2(C=O)COC2)c2ccccc21
InChIInChI=1S/C13H13NO2/c1-14-6-11(13(7-15)8-16-9-13)10-4-2-3-5-12(10)14/h2-7H,8-9H2,1H3
InChIKeyPUGIQAXWVSAJIF-UHFFFAOYSA-N
XLogP1.65
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(2-methyloxiran-2-yl)indole
CID 82468567
1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-one
CID 116873826
2-[3-(1-methylindol-3-yl)oxetan-3-yl]ethanethiol
CID 116872556
2-[3-(1-methylindol-3-yl)oxetan-3-yl]propanoic acid
CID 116872061
1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-amine
CID 116869840
3-methyl-2-[3-(1-methylindol-3-yl)oxetan-3-yl]butanenitrile
CID 116875563
2-[3-(1-methylindol-3-yl)oxetan-3-yl]butan-1-amine
CID 116875329
[3-(hydroxymethyl)oxetan-3-yl]-(1-methylindol-3-yl)methanone
CID 116922589
[1-(1-methylindol-3-yl)cyclopropyl]methanamine
CID 82278323
2-[1-(1-methylindol-3-yl)cyclopropyl]propan-2-amine
CID 83673846
3-[dimethylamino-(1-methylindol-3-yl)methyl]oxetane-3-carbonitrile
CID 116912830
1-methyl-3-(1-methylindol-3-yl)selanylindole
CID 621312

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)oxetane-3-carbaldehyde?
The IUPAC name of 3-(1-methylindol-3-yl)oxetane-3-carbaldehyde (CID 116872351) is 3-(1-methylindol-3-yl)oxetane-3-carbaldehyde.
What is the SMILES notation for 3-(1-methylindol-3-yl)oxetane-3-carbaldehyde?
The canonical SMILES for 3-(1-methylindol-3-yl)oxetane-3-carbaldehyde is Cn1cc(C2(C=O)COC2)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)oxetane-3-carbaldehyde?
The InChIKey is PUGIQAXWVSAJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-14-6-11(13(7-15)8-16-9-13)10-4-2-3-5-12(10)14/h2-7H,8-9H2,1H3.
What are the key properties of 3-(1-methylindol-3-yl)oxetane-3-carbaldehyde?
3-(1-methylindol-3-yl)oxetane-3-carbaldehyde has a molecular weight of 215.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)oxetane-3-carbaldehyde is sourced from PubChem (CID 116872351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).