5,6,7,8-tetrahydropyrano[3,2-f]indole-3-carbaldehyde

C12H11NO2 — CID 88660250

IUPAC5,6,7,8-tetrahydropyrano[3,2-f]indole-3-carbaldehyde
SMILESO=CC1=COC2=CC3=C(CCN3)CC2=C1
InChIInChI=1S/C12H11NO2/c14-6-8-3-10-4-9-1-2-13-11(9)5-12(10)15-7-8/h3,5-7,13H,1-2,4H2
InChIKeyNPXDLDMKYSIGOB-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.56
Rot. Bonds1

About 5,6,7,8-tetrahydropyrano[3,2-f]indole-3-carbaldehyde

5,6,7,8-tetrahydropyrano[3,2-f]indole-3-carbaldehyde (PubChem CID 88660250) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 5,6,7,8-tetrahydropyrano[3,2-f]indole-3-carbaldehyde.

Molecular Properties

Compound Name5,6,7,8-tetrahydropyrano[3,2-f]indole-3-carbaldehyde
PubChem CID88660250
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name5,6,7,8-tetrahydropyrano[3,2-f]indole-3-carbaldehyde
SMILESO=CC1=COC2=CC3=C(CCN3)CC2=C1
InChIInChI=1S/C12H11NO2/c14-6-8-3-10-4-9-1-2-13-11(9)5-12(10)15-7-8/h3,5-7,13H,1-2,4H2
InChIKeyNPXDLDMKYSIGOB-UHFFFAOYSA-N
XLogP1.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.56
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 5,6,7,8-tetrahydropyrano[3,2-f]indole-3-carbaldehyde?
The IUPAC name of 5,6,7,8-tetrahydropyrano[3,2-f]indole-3-carbaldehyde (CID 88660250) is 5,6,7,8-tetrahydropyrano[3,2-f]indole-3-carbaldehyde.
What is the SMILES notation for 5,6,7,8-tetrahydropyrano[3,2-f]indole-3-carbaldehyde?
The canonical SMILES for 5,6,7,8-tetrahydropyrano[3,2-f]indole-3-carbaldehyde is O=CC1=COC2=CC3=C(CCN3)CC2=C1.
What is the InChIKey of 5,6,7,8-tetrahydropyrano[3,2-f]indole-3-carbaldehyde?
The InChIKey is NPXDLDMKYSIGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-6-8-3-10-4-9-1-2-13-11(9)5-12(10)15-7-8/h3,5-7,13H,1-2,4H2.
What are the key properties of 5,6,7,8-tetrahydropyrano[3,2-f]indole-3-carbaldehyde?
5,6,7,8-tetrahydropyrano[3,2-f]indole-3-carbaldehyde has a molecular weight of 201.23 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydropyrano[3,2-f]indole-3-carbaldehyde is sourced from PubChem (CID 88660250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).