(1R,4S)-2-azabicyclo[2.2.0]hexa-2,5-diene

C5H5N — CID 102402637

IUPAC(1R,4S)-2-azabicyclo[2.2.0]hexa-2,5-diene
SMILESC1=C[C@H]2N=C[C@@H]12
InChIInChI=1S/C5H5N/c1-2-5-4(1)3-6-5/h1-5H/t4-,5-/m1/s1
InChIKeyUKZSOLAUQNXPLD-RFZPGFLSSA-N
MW79.10 g/mol
LogP0.63
Rot. Bonds

About (1R,4S)-2-azabicyclo[2.2.0]hexa-2,5-diene

(1R,4S)-2-azabicyclo[2.2.0]hexa-2,5-diene (PubChem CID 102402637) has the molecular formula C5H5N and a molecular weight of 79.10 g/mol. Its IUPAC name is (1R,4S)-2-azabicyclo[2.2.0]hexa-2,5-diene.

Molecular Properties

Compound Name(1R,4S)-2-azabicyclo[2.2.0]hexa-2,5-diene
PubChem CID102402637
Molecular FormulaC5H5N
Molecular Weight79.10 g/mol
Exact Mass79.04
IUPAC Name(1R,4S)-2-azabicyclo[2.2.0]hexa-2,5-diene
SMILESC1=C[C@H]2N=C[C@@H]12
InChIInChI=1S/C5H5N/c1-2-5-4(1)3-6-5/h1-5H/t4-,5-/m1/s1
InChIKeyUKZSOLAUQNXPLD-RFZPGFLSSA-N
XLogP0.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50079.10
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,4S)-2-azabicyclo[2.2.0]hexa-2,5-diene with MolForge

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

Launch Full Analysis

Related Compounds

2-Azabicyclo[2.2.0]hexa-2,5-diene
CID 71375521
2-Propan-2-yl-2,5-dihydropyridine
CID 57314007
2,5-Dimethyl-2,5-dihydropyridine
CID 123416148
2-methyl-3-[(Z)-prop-1-enyl]-2,3-dihydroazete
CID 163565358
1-Methyl-2-azabicyclo[2.2.0]hexa-2,5-diene
CID 100982386
5-Methyl-2-azabicyclo[2.2.0]hexa-2,5-diene
CID 102594099
2-Methyl-5-prop-1-en-2-yl-2,5-dihydropyridine
CID 141836863

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-2-azabicyclo[2.2.0]hexa-2,5-diene?
The IUPAC name of (1R,4S)-2-azabicyclo[2.2.0]hexa-2,5-diene (CID 102402637) is (1R,4S)-2-azabicyclo[2.2.0]hexa-2,5-diene.
What is the SMILES notation for (1R,4S)-2-azabicyclo[2.2.0]hexa-2,5-diene?
The canonical SMILES for (1R,4S)-2-azabicyclo[2.2.0]hexa-2,5-diene is C1=C[C@H]2N=C[C@@H]12.
What is the InChIKey of (1R,4S)-2-azabicyclo[2.2.0]hexa-2,5-diene?
The InChIKey is UKZSOLAUQNXPLD-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H5N/c1-2-5-4(1)3-6-5/h1-5H/t4-,5-/m1/s1.
What are the key properties of (1R,4S)-2-azabicyclo[2.2.0]hexa-2,5-diene?
(1R,4S)-2-azabicyclo[2.2.0]hexa-2,5-diene has a molecular weight of 79.10 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-2-azabicyclo[2.2.0]hexa-2,5-diene is sourced from PubChem (CID 102402637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).