1-azido-5-methylcyclopenta-1,3-diene

C6H7N3 — CID 151061852

IUPAC1-azido-5-methylcyclopenta-1,3-diene
SMILESCC1C=CC=C1N=[N+]=[N-]
InChIInChI=1S/C6H7N3/c1-5-3-2-4-6(5)8-9-7/h2-5H,1H3
InChIKeyMGIIUAUXHQXNIV-UHFFFAOYSA-N
MW121.14 g/mol
LogP2.39
Rot. Bonds1

About 1-azido-5-methylcyclopenta-1,3-diene

1-azido-5-methylcyclopenta-1,3-diene (PubChem CID 151061852) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 1-azido-5-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-azido-5-methylcyclopenta-1,3-diene
PubChem CID151061852
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name1-azido-5-methylcyclopenta-1,3-diene
SMILESCC1C=CC=C1N=[N+]=[N-]
InChIInChI=1S/C6H7N3/c1-5-3-2-4-6(5)8-9-7/h2-5H,1H3
InChIKeyMGIIUAUXHQXNIV-UHFFFAOYSA-N
XLogP2.39
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 52.39
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
3,7-Dihydrocyclopenta[c]pyridazin-3-ide
CID 154427623
methyl-[(3E,5S)-5-methylhepta-1,3,6-trien-3-yl]diazene
CID 163597242
methyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene
CID 167311236
[(2E,4Z)-6-methylhepta-2,4-dien-2-yl]diazene
CID 169853682
5-(1-Azidoethylidene)cyclopenta-1,3-diene
CID 86216881
Cyclopenta-1,3-diene-1-diazonium
CID 136729076
2-Azido-1-methylcyclopenta-1,3-diene
CID 151413139

Frequently Asked Questions

What is the IUPAC name of 1-azido-5-methylcyclopenta-1,3-diene?
The IUPAC name of 1-azido-5-methylcyclopenta-1,3-diene (CID 151061852) is 1-azido-5-methylcyclopenta-1,3-diene.
What is the SMILES notation for 1-azido-5-methylcyclopenta-1,3-diene?
The canonical SMILES for 1-azido-5-methylcyclopenta-1,3-diene is CC1C=CC=C1N=[N+]=[N-].
What is the InChIKey of 1-azido-5-methylcyclopenta-1,3-diene?
The InChIKey is MGIIUAUXHQXNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-5-3-2-4-6(5)8-9-7/h2-5H,1H3.
What are the key properties of 1-azido-5-methylcyclopenta-1,3-diene?
1-azido-5-methylcyclopenta-1,3-diene has a molecular weight of 121.14 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-5-methylcyclopenta-1,3-diene is sourced from PubChem (CID 151061852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).