2-ethyl-2-azabicyclo[2.2.1]hept-5-ene

C8H13N — CID 19854922

IUPAC2-ethyl-2-azabicyclo[2.2.1]hept-5-ene
SMILESCCN1CC2C=CC1C2
InChIInChI=1S/C8H13N/c1-2-9-6-7-3-4-8(9)5-7/h3-4,7-8H,2,5-6H2,1H3
InChIKeySTFURGWSWXPOKQ-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.27
Rot. Bonds1

About 2-ethyl-2-azabicyclo[2.2.1]hept-5-ene

2-ethyl-2-azabicyclo[2.2.1]hept-5-ene (PubChem CID 19854922) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-ethyl-2-azabicyclo[2.2.1]hept-5-ene.

Molecular Properties

Compound Name2-ethyl-2-azabicyclo[2.2.1]hept-5-ene
PubChem CID19854922
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-ethyl-2-azabicyclo[2.2.1]hept-5-ene
SMILESCCN1CC2C=CC1C2
InChIInChI=1S/C8H13N/c1-2-9-6-7-3-4-8(9)5-7/h3-4,7-8H,2,5-6H2,1H3
InChIKeySTFURGWSWXPOKQ-UHFFFAOYSA-N
XLogP1.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-azabicyclo[2.2.1]hept-5-ene?
The IUPAC name of 2-ethyl-2-azabicyclo[2.2.1]hept-5-ene (CID 19854922) is 2-ethyl-2-azabicyclo[2.2.1]hept-5-ene.
What is the SMILES notation for 2-ethyl-2-azabicyclo[2.2.1]hept-5-ene?
The canonical SMILES for 2-ethyl-2-azabicyclo[2.2.1]hept-5-ene is CCN1CC2C=CC1C2.
What is the InChIKey of 2-ethyl-2-azabicyclo[2.2.1]hept-5-ene?
The InChIKey is STFURGWSWXPOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-9-6-7-3-4-8(9)5-7/h3-4,7-8H,2,5-6H2,1H3.
What are the key properties of 2-ethyl-2-azabicyclo[2.2.1]hept-5-ene?
2-ethyl-2-azabicyclo[2.2.1]hept-5-ene has a molecular weight of 123.20 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-azabicyclo[2.2.1]hept-5-ene is sourced from PubChem (CID 19854922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).