5H-[1,3]dioxolo[4,5-f]indole-7-carbaldehyde

C10H7NO3 — CID 22605383

IUPAC5H-[1,3]dioxolo[4,5-f]indole-7-carbaldehyde
SMILESO=Cc1c[nH]c2cc3c(cc12)OCO3
InChIInChI=1S/C10H7NO3/c12-4-6-3-11-8-2-10-9(1-7(6)8)13-5-14-10/h1-4,11H,5H2
InChIKeyZSRZOTBSPHGDQJ-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.71
Rot. Bonds1

About 5H-[1,3]dioxolo[4,5-f]indole-7-carbaldehyde

5H-[1,3]dioxolo[4,5-f]indole-7-carbaldehyde (PubChem CID 22605383) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 5H-[1,3]dioxolo[4,5-f]indole-7-carbaldehyde.

Molecular Properties

Compound Name5H-[1,3]dioxolo[4,5-f]indole-7-carbaldehyde
PubChem CID22605383
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name5H-[1,3]dioxolo[4,5-f]indole-7-carbaldehyde
SMILESO=Cc1c[nH]c2cc3c(cc12)OCO3
InChIInChI=1S/C10H7NO3/c12-4-6-3-11-8-2-10-9(1-7(6)8)13-5-14-10/h1-4,11H,5H2
InChIKeyZSRZOTBSPHGDQJ-UHFFFAOYSA-N
XLogP1.71
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.71
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 5H-[1,3]dioxolo[4,5-f]indole-7-carbaldehyde?
The IUPAC name of 5H-[1,3]dioxolo[4,5-f]indole-7-carbaldehyde (CID 22605383) is 5H-[1,3]dioxolo[4,5-f]indole-7-carbaldehyde.
What is the SMILES notation for 5H-[1,3]dioxolo[4,5-f]indole-7-carbaldehyde?
The canonical SMILES for 5H-[1,3]dioxolo[4,5-f]indole-7-carbaldehyde is O=Cc1c[nH]c2cc3c(cc12)OCO3.
What is the InChIKey of 5H-[1,3]dioxolo[4,5-f]indole-7-carbaldehyde?
The InChIKey is ZSRZOTBSPHGDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c12-4-6-3-11-8-2-10-9(1-7(6)8)13-5-14-10/h1-4,11H,5H2.
What are the key properties of 5H-[1,3]dioxolo[4,5-f]indole-7-carbaldehyde?
5H-[1,3]dioxolo[4,5-f]indole-7-carbaldehyde has a molecular weight of 189.17 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-[1,3]dioxolo[4,5-f]indole-7-carbaldehyde is sourced from PubChem (CID 22605383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).