2-azido-5-propan-2-ylidenecyclopenta-1,3-diene

C8H9N3 — CID 134861620

IUPAC2-azido-5-propan-2-ylidenecyclopenta-1,3-diene
SMILESCC(C)=C1C=CC(N=[N+]=[N-])=C1
InChIInChI=1S/C8H9N3/c1-6(2)7-3-4-8(5-7)10-11-9/h3-5H,1-2H3
InChIKeyNTNWVMIDUVCOLE-UHFFFAOYSA-N
MW147.18 g/mol
LogP3.09
Rot. Bonds1

About 2-azido-5-propan-2-ylidenecyclopenta-1,3-diene

2-azido-5-propan-2-ylidenecyclopenta-1,3-diene (PubChem CID 134861620) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-azido-5-propan-2-ylidenecyclopenta-1,3-diene.

Molecular Properties

Compound Name2-azido-5-propan-2-ylidenecyclopenta-1,3-diene
PubChem CID134861620
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name2-azido-5-propan-2-ylidenecyclopenta-1,3-diene
SMILESCC(C)=C1C=CC(N=[N+]=[N-])=C1
InChIInChI=1S/C8H9N3/c1-6(2)7-3-4-8(5-7)10-11-9/h3-5H,1-2H3
InChIKeyNTNWVMIDUVCOLE-UHFFFAOYSA-N
XLogP3.09
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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'}

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Related Compounds

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CID 118543999
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CID 15619251
3,5,7-Trimethyl-3H-1,2-diazepine
CID 15619252
Dimethyl aminofulvene
CID 129695581
5,7,12,14-Tetramethyl-tetraaza[14]annulene
CID 129852918
2-Azidocyclopenta-1,3-diene
CID 134847862
3-Azido-1-ethylcyclohexa-1,3-diene
CID 57259895
1-Azido-2,4-dimethylbenzene-3-ide;yttrium
CID 57880083
1-[(Z)-2-azidoprop-1-enyl]cyclopenta-1,3-diene
CID 58002896
3,3-Dimethyl-5-(2-methylprop-1-enyl)pyrazole
CID 70595726
(3E,4Z)-3,4-di(ethylidene)pyridazine
CID 88861141
methyl-[(3Z,6Z)-5-methylocta-1,3,6-trien-2-yl]diazene
CID 88964772

Frequently Asked Questions

What is the IUPAC name of 2-azido-5-propan-2-ylidenecyclopenta-1,3-diene?
The IUPAC name of 2-azido-5-propan-2-ylidenecyclopenta-1,3-diene (CID 134861620) is 2-azido-5-propan-2-ylidenecyclopenta-1,3-diene.
What is the SMILES notation for 2-azido-5-propan-2-ylidenecyclopenta-1,3-diene?
The canonical SMILES for 2-azido-5-propan-2-ylidenecyclopenta-1,3-diene is CC(C)=C1C=CC(N=[N+]=[N-])=C1.
What is the InChIKey of 2-azido-5-propan-2-ylidenecyclopenta-1,3-diene?
The InChIKey is NTNWVMIDUVCOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-6(2)7-3-4-8(5-7)10-11-9/h3-5H,1-2H3.
What are the key properties of 2-azido-5-propan-2-ylidenecyclopenta-1,3-diene?
2-azido-5-propan-2-ylidenecyclopenta-1,3-diene has a molecular weight of 147.18 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-5-propan-2-ylidenecyclopenta-1,3-diene is sourced from PubChem (CID 134861620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).