2-(3-azidopropyl)cyclopenta-1,3-diene

C8H11N3 — CID 137247595

IUPAC2-(3-azidopropyl)cyclopenta-1,3-diene
SMILES[N-]=[N+]=NCCCC1=CCC=C1
InChIInChI=1S/C8H11N3/c9-11-10-7-3-6-8-4-1-2-5-8/h1,4-5H,2-3,6-7H2
InChIKeyVZCGRPUCWMOZSL-UHFFFAOYSA-N
MW149.20 g/mol
LogP2.96
Rot. Bonds4

About 2-(3-azidopropyl)cyclopenta-1,3-diene

2-(3-azidopropyl)cyclopenta-1,3-diene (PubChem CID 137247595) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 2-(3-azidopropyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name2-(3-azidopropyl)cyclopenta-1,3-diene
PubChem CID137247595
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name2-(3-azidopropyl)cyclopenta-1,3-diene
SMILES[N-]=[N+]=NCCCC1=CCC=C1
InChIInChI=1S/C8H11N3/c9-11-10-7-3-6-8-4-1-2-5-8/h1,4-5H,2-3,6-7H2
InChIKeyVZCGRPUCWMOZSL-UHFFFAOYSA-N
XLogP2.96
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropyl)cyclopenta-1,3-diene?
The IUPAC name of 2-(3-azidopropyl)cyclopenta-1,3-diene (CID 137247595) is 2-(3-azidopropyl)cyclopenta-1,3-diene.
What is the SMILES notation for 2-(3-azidopropyl)cyclopenta-1,3-diene?
The canonical SMILES for 2-(3-azidopropyl)cyclopenta-1,3-diene is [N-]=[N+]=NCCCC1=CCC=C1.
What is the InChIKey of 2-(3-azidopropyl)cyclopenta-1,3-diene?
The InChIKey is VZCGRPUCWMOZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c9-11-10-7-3-6-8-4-1-2-5-8/h1,4-5H,2-3,6-7H2.
What are the key properties of 2-(3-azidopropyl)cyclopenta-1,3-diene?
2-(3-azidopropyl)cyclopenta-1,3-diene has a molecular weight of 149.20 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropyl)cyclopenta-1,3-diene is sourced from PubChem (CID 137247595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).