5-(1-azidoethylidene)cyclopenta-1,3-diene

C7H7N3 — CID 86216881

IUPAC5-(1-azidoethylidene)cyclopenta-1,3-diene
SMILESCC(N=[N+]=[N-])=C1C=CC=C1
InChIInChI=1S/C7H7N3/c1-6(9-10-8)7-4-2-3-5-7/h2-5H,1H3
InChIKeyWQRMWYFKBPTRPX-UHFFFAOYSA-N
MW133.15 g/mol
LogP2.70
Rot. Bonds1

About 5-(1-azidoethylidene)cyclopenta-1,3-diene

5-(1-azidoethylidene)cyclopenta-1,3-diene (PubChem CID 86216881) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 5-(1-azidoethylidene)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(1-azidoethylidene)cyclopenta-1,3-diene
PubChem CID86216881
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name5-(1-azidoethylidene)cyclopenta-1,3-diene
SMILESCC(N=[N+]=[N-])=C1C=CC=C1
InChIInChI=1S/C7H7N3/c1-6(9-10-8)7-4-2-3-5-7/h2-5H,1H3
InChIKeyWQRMWYFKBPTRPX-UHFFFAOYSA-N
XLogP2.70
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 52.70
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'}

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Related Compounds

Cyclopenta-1,3-diene-1-diazonium
CID 20700900
1-Azidocyclopenta-1,3-diene
CID 101547030
2-Azidocyclopenta-1,3-diene
CID 134847862
2-Azido-5-propan-2-ylidenecyclopenta-1,3-diene
CID 134861620
1-[(Z)-2-azidoprop-1-enyl]cyclopenta-1,3-diene
CID 58002896
(3E,5E)-3-azido-6-methylocta-3,5-diene
CID 89301366
[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]diazene
CID 89383863
[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]diazene
CID 89828458
methyl-[(2Z)-4-methylpenta-2,4-dien-2-yl]diazene
CID 117835604
[(3Z)-4-methylhexa-3,5-dien-3-yl]diazene
CID 118614915
5-ethenyl-4-[(Z)-prop-1-enyl]-3H-pyrazole
CID 142078693
4-[(1Z)-buta-1,3-dienyl]-5-methyl-3H-pyrazole
CID 144152442

Frequently Asked Questions

What is the IUPAC name of 5-(1-azidoethylidene)cyclopenta-1,3-diene?
The IUPAC name of 5-(1-azidoethylidene)cyclopenta-1,3-diene (CID 86216881) is 5-(1-azidoethylidene)cyclopenta-1,3-diene.
What is the SMILES notation for 5-(1-azidoethylidene)cyclopenta-1,3-diene?
The canonical SMILES for 5-(1-azidoethylidene)cyclopenta-1,3-diene is CC(N=[N+]=[N-])=C1C=CC=C1.
What is the InChIKey of 5-(1-azidoethylidene)cyclopenta-1,3-diene?
The InChIKey is WQRMWYFKBPTRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-6(9-10-8)7-4-2-3-5-7/h2-5H,1H3.
What are the key properties of 5-(1-azidoethylidene)cyclopenta-1,3-diene?
5-(1-azidoethylidene)cyclopenta-1,3-diene has a molecular weight of 133.15 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azidoethylidene)cyclopenta-1,3-diene is sourced from PubChem (CID 86216881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).