3-[1-(oxan-2-yl)indazol-5-yl]prop-2-ynal

C15H14N2O2 — CID 86663366

IUPAC3-[1-(oxan-2-yl)indazol-5-yl]prop-2-ynal
SMILESO=CC#Cc1ccc2c(cnn2C2CCCCO2)c1
InChIInChI=1S/C15H14N2O2/c18-8-3-4-12-6-7-14-13(10-12)11-16-17(14)15-5-1-2-9-19-15/h6-8,10-11,15H,1-2,5,9H2
InChIKeyOBIFDQSVDSPYHK-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.29
Rot. Bonds1

About 3-[1-(oxan-2-yl)indazol-5-yl]prop-2-ynal

3-[1-(oxan-2-yl)indazol-5-yl]prop-2-ynal (PubChem CID 86663366) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[1-(oxan-2-yl)indazol-5-yl]prop-2-ynal.

Molecular Properties

Compound Name3-[1-(oxan-2-yl)indazol-5-yl]prop-2-ynal
PubChem CID86663366
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-[1-(oxan-2-yl)indazol-5-yl]prop-2-ynal
SMILESO=CC#Cc1ccc2c(cnn2C2CCCCO2)c1
InChIInChI=1S/C15H14N2O2/c18-8-3-4-12-6-7-14-13(10-12)11-16-17(14)15-5-1-2-9-19-15/h6-8,10-11,15H,1-2,5,9H2
InChIKeyOBIFDQSVDSPYHK-UHFFFAOYSA-N
XLogP2.29
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[1-(oxan-2-yl)indazol-5-yl]prop-2-ynal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxan-2-yl)indazol-5-yl]prop-2-ynal?
The IUPAC name of 3-[1-(oxan-2-yl)indazol-5-yl]prop-2-ynal (CID 86663366) is 3-[1-(oxan-2-yl)indazol-5-yl]prop-2-ynal.
What is the SMILES notation for 3-[1-(oxan-2-yl)indazol-5-yl]prop-2-ynal?
The canonical SMILES for 3-[1-(oxan-2-yl)indazol-5-yl]prop-2-ynal is O=CC#Cc1ccc2c(cnn2C2CCCCO2)c1.
What is the InChIKey of 3-[1-(oxan-2-yl)indazol-5-yl]prop-2-ynal?
The InChIKey is OBIFDQSVDSPYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-8-3-4-12-6-7-14-13(10-12)11-16-17(14)15-5-1-2-9-19-15/h6-8,10-11,15H,1-2,5,9H2.
What are the key properties of 3-[1-(oxan-2-yl)indazol-5-yl]prop-2-ynal?
3-[1-(oxan-2-yl)indazol-5-yl]prop-2-ynal has a molecular weight of 254.29 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxan-2-yl)indazol-5-yl]prop-2-ynal is sourced from PubChem (CID 86663366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).