1-[(Z)-2-azidoprop-1-enyl]cyclopenta-1,3-diene

C8H9N3 — CID 58002896

IUPAC1-[(Z)-2-azidoprop-1-enyl]cyclopenta-1,3-diene
SMILESC/C(=C/C1=CC=CC1)N=[N+]=[N-]
InChIInChI=1S/C8H9N3/c1-7(10-11-9)6-8-4-2-3-5-8/h2-4,6H,5H2,1H3/b7-6-
InChIKeyBVUDBJKDOIJTIH-SREVYHEPSA-N
MW147.18 g/mol
LogP3.09
Rot. Bonds2

About 1-[(Z)-2-azidoprop-1-enyl]cyclopenta-1,3-diene

1-[(Z)-2-azidoprop-1-enyl]cyclopenta-1,3-diene (PubChem CID 58002896) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 1-[(Z)-2-azidoprop-1-enyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-[(Z)-2-azidoprop-1-enyl]cyclopenta-1,3-diene
PubChem CID58002896
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name1-[(Z)-2-azidoprop-1-enyl]cyclopenta-1,3-diene
SMILESC/C(=C/C1=CC=CC1)N=[N+]=[N-]
InChIInChI=1S/C8H9N3/c1-7(10-11-9)6-8-4-2-3-5-8/h2-4,6H,5H2,1H3/b7-6-
InChIKeyBVUDBJKDOIJTIH-SREVYHEPSA-N
XLogP3.09
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-[(Z)-2-azidoprop-1-enyl]cyclopenta-1,3-diene 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 1-[(Z)-2-azidoprop-1-enyl]cyclopenta-1,3-diene?
The IUPAC name of 1-[(Z)-2-azidoprop-1-enyl]cyclopenta-1,3-diene (CID 58002896) is 1-[(Z)-2-azidoprop-1-enyl]cyclopenta-1,3-diene.
What is the SMILES notation for 1-[(Z)-2-azidoprop-1-enyl]cyclopenta-1,3-diene?
The canonical SMILES for 1-[(Z)-2-azidoprop-1-enyl]cyclopenta-1,3-diene is C/C(=C/C1=CC=CC1)N=[N+]=[N-].
What is the InChIKey of 1-[(Z)-2-azidoprop-1-enyl]cyclopenta-1,3-diene?
The InChIKey is BVUDBJKDOIJTIH-SREVYHEPSA-N. The full InChI is InChI=1S/C8H9N3/c1-7(10-11-9)6-8-4-2-3-5-8/h2-4,6H,5H2,1H3/b7-6-.
What are the key properties of 1-[(Z)-2-azidoprop-1-enyl]cyclopenta-1,3-diene?
1-[(Z)-2-azidoprop-1-enyl]cyclopenta-1,3-diene has a molecular weight of 147.18 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-azidoprop-1-enyl]cyclopenta-1,3-diene is sourced from PubChem (CID 58002896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).