(2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carbaldehyde

C8H8N2O — CID 89145803

IUPAC(2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carbaldehyde
SMILESO=Cc1n[nH]c2c1C[C@H]1C[C@@H]21
InChIInChI=1S/C8H8N2O/c11-3-7-6-2-4-1-5(4)8(6)10-9-7/h3-5H,1-2H2,(H,9,10)/t4-,5-/m1/s1
InChIKeyOZUCUUHUMGLFDM-RFZPGFLSSA-N
MW148.16 g/mol
LogP0.88
Rot. Bonds1

About (2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carbaldehyde

(2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carbaldehyde (PubChem CID 89145803) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is (2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carbaldehyde.

Molecular Properties

Compound Name(2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carbaldehyde
PubChem CID89145803
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name(2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carbaldehyde
SMILESO=Cc1n[nH]c2c1C[C@H]1C[C@@H]21
InChIInChI=1S/C8H8N2O/c11-3-7-6-2-4-1-5(4)8(6)10-9-7/h3-5H,1-2H2,(H,9,10)/t4-,5-/m1/s1
InChIKeyOZUCUUHUMGLFDM-RFZPGFLSSA-N
XLogP0.88
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.88
H-Bond Donors ≤ 51
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 (2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carbaldehyde?
The IUPAC name of (2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carbaldehyde (CID 89145803) is (2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carbaldehyde.
What is the SMILES notation for (2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carbaldehyde?
The canonical SMILES for (2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carbaldehyde is O=Cc1n[nH]c2c1C[C@H]1C[C@@H]21.
What is the InChIKey of (2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carbaldehyde?
The InChIKey is OZUCUUHUMGLFDM-RFZPGFLSSA-N. The full InChI is InChI=1S/C8H8N2O/c11-3-7-6-2-4-1-5(4)8(6)10-9-7/h3-5H,1-2H2,(H,9,10)/t4-,5-/m1/s1.
What are the key properties of (2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carbaldehyde?
(2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carbaldehyde has a molecular weight of 148.16 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carbaldehyde is sourced from PubChem (CID 89145803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).