2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carbaldehyde

C13H10N2O — CID 141147804

IUPAC2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carbaldehyde
SMILESO=CN1C=Cn2c(cc3c2=CC=CC=C3)=C1
InChIInChI=1S/C13H10N2O/c16-10-14-6-7-15-12(9-14)8-11-4-2-1-3-5-13(11)15/h1-10H
InChIKeyBLHUWYWNRHBFPY-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.49
Rot. Bonds1

About 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carbaldehyde

2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carbaldehyde (PubChem CID 141147804) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carbaldehyde.

Molecular Properties

Compound Name2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carbaldehyde
PubChem CID141147804
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carbaldehyde
SMILESO=CN1C=Cn2c(cc3c2=CC=CC=C3)=C1
InChIInChI=1S/C13H10N2O/c16-10-14-6-7-15-12(9-14)8-11-4-2-1-3-5-13(11)15/h1-10H
InChIKeyBLHUWYWNRHBFPY-UHFFFAOYSA-N
XLogP0.49
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carbaldehyde?
The IUPAC name of 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carbaldehyde (CID 141147804) is 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carbaldehyde.
What is the SMILES notation for 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carbaldehyde?
The canonical SMILES for 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carbaldehyde is O=CN1C=Cn2c(cc3c2=CC=CC=C3)=C1.
What is the InChIKey of 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carbaldehyde?
The InChIKey is BLHUWYWNRHBFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c16-10-14-6-7-15-12(9-14)8-11-4-2-1-3-5-13(11)15/h1-10H.
What are the key properties of 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carbaldehyde?
2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carbaldehyde has a molecular weight of 210.24 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carbaldehyde is sourced from PubChem (CID 141147804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).