[2-(cyclopenten-1-yl)-1-diazoethyl]benzene

C13H14N2 — CID 12699208

IUPAC[2-(cyclopenten-1-yl)-1-diazoethyl]benzene
SMILES[N-]=[N+]=C(CC1=CCCC1)c1ccccc1
InChIInChI=1S/C13H14N2/c14-15-13(10-11-6-4-5-7-11)12-8-2-1-3-9-12/h1-3,6,8-9H,4-5,7,10H2
InChIKeyFLIVNBPQPJVQFO-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.21
Rot. Bonds3

About [2-(cyclopenten-1-yl)-1-diazoethyl]benzene

[2-(cyclopenten-1-yl)-1-diazoethyl]benzene (PubChem CID 12699208) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is [2-(cyclopenten-1-yl)-1-diazoethyl]benzene.

Molecular Properties

Compound Name[2-(cyclopenten-1-yl)-1-diazoethyl]benzene
PubChem CID12699208
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name[2-(cyclopenten-1-yl)-1-diazoethyl]benzene
SMILES[N-]=[N+]=C(CC1=CCCC1)c1ccccc1
InChIInChI=1S/C13H14N2/c14-15-13(10-11-6-4-5-7-11)12-8-2-1-3-9-12/h1-3,6,8-9H,4-5,7,10H2
InChIKeyFLIVNBPQPJVQFO-UHFFFAOYSA-N
XLogP3.21
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(cyclopenten-1-yl)-1-diazoethyl]benzene?
The IUPAC name of [2-(cyclopenten-1-yl)-1-diazoethyl]benzene (CID 12699208) is [2-(cyclopenten-1-yl)-1-diazoethyl]benzene.
What is the SMILES notation for [2-(cyclopenten-1-yl)-1-diazoethyl]benzene?
The canonical SMILES for [2-(cyclopenten-1-yl)-1-diazoethyl]benzene is [N-]=[N+]=C(CC1=CCCC1)c1ccccc1.
What is the InChIKey of [2-(cyclopenten-1-yl)-1-diazoethyl]benzene?
The InChIKey is FLIVNBPQPJVQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c14-15-13(10-11-6-4-5-7-11)12-8-2-1-3-9-12/h1-3,6,8-9H,4-5,7,10H2.
What are the key properties of [2-(cyclopenten-1-yl)-1-diazoethyl]benzene?
[2-(cyclopenten-1-yl)-1-diazoethyl]benzene has a molecular weight of 198.27 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopenten-1-yl)-1-diazoethyl]benzene is sourced from PubChem (CID 12699208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).