4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene-5-carbaldehyde

C17H21NO2 — CID 75580501

IUPAC4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene-5-carbaldehyde
SMILESO=Cc1cc2c(cc1O)C13CCCCC1C(C2)NCC3
InChIInChI=1S/C17H21NO2/c19-10-12-7-11-8-15-13-3-1-2-4-17(13,5-6-18-15)14(11)9-16(12)20/h7,9-10,13,15,18,20H,1-6,8H2
InChIKeyDJXOMVQYRMRUPO-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.55
Rot. Bonds1

About 4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene-5-carbaldehyde

4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene-5-carbaldehyde (PubChem CID 75580501) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene-5-carbaldehyde.

Molecular Properties

Compound Name4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene-5-carbaldehyde
PubChem CID75580501
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene-5-carbaldehyde
SMILESO=Cc1cc2c(cc1O)C13CCCCC1C(C2)NCC3
InChIInChI=1S/C17H21NO2/c19-10-12-7-11-8-15-13-3-1-2-4-17(13,5-6-18-15)14(11)9-16(12)20/h7,9-10,13,15,18,20H,1-6,8H2
InChIKeyDJXOMVQYRMRUPO-UHFFFAOYSA-N
XLogP2.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene-5-carbaldehyde 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 4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene-5-carbaldehyde?
The IUPAC name of 4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene-5-carbaldehyde (CID 75580501) is 4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene-5-carbaldehyde.
What is the SMILES notation for 4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene-5-carbaldehyde?
The canonical SMILES for 4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene-5-carbaldehyde is O=Cc1cc2c(cc1O)C13CCCCC1C(C2)NCC3.
What is the InChIKey of 4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene-5-carbaldehyde?
The InChIKey is DJXOMVQYRMRUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-10-12-7-11-8-15-13-3-1-2-4-17(13,5-6-18-15)14(11)9-16(12)20/h7,9-10,13,15,18,20H,1-6,8H2.
What are the key properties of 4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene-5-carbaldehyde?
4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene-5-carbaldehyde has a molecular weight of 271.36 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene-5-carbaldehyde is sourced from PubChem (CID 75580501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).