azane;5-ethylbicyclo[2.1.1]hex-1-ene

C8H15N — CID 174366157

IUPACazane;5-ethylbicyclo[2.1.1]hex-1-ene
SMILESCCC1C2=CCC1C2.N
InChIInChI=1S/C8H12.H3N/c1-2-8-6-3-4-7(8)5-6;/h3,7-8H,2,4-5H2,1H3;1H3
InChIKeyCMCSZWXVNCYBNS-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.52
Rot. Bonds1

About azane;5-ethylbicyclo[2.1.1]hex-1-ene

azane;5-ethylbicyclo[2.1.1]hex-1-ene (PubChem CID 174366157) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is azane;5-ethylbicyclo[2.1.1]hex-1-ene.

Molecular Properties

Compound Nameazane;5-ethylbicyclo[2.1.1]hex-1-ene
PubChem CID174366157
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Nameazane;5-ethylbicyclo[2.1.1]hex-1-ene
SMILESCCC1C2=CCC1C2.N
InChIInChI=1S/C8H12.H3N/c1-2-8-6-3-4-7(8)5-6;/h3,7-8H,2,4-5H2,1H3;1H3
InChIKeyCMCSZWXVNCYBNS-UHFFFAOYSA-N
XLogP2.52
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.52
H-Bond Donors ≤ 51
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 azane;5-ethylbicyclo[2.1.1]hex-1-ene?
The IUPAC name of azane;5-ethylbicyclo[2.1.1]hex-1-ene (CID 174366157) is azane;5-ethylbicyclo[2.1.1]hex-1-ene.
What is the SMILES notation for azane;5-ethylbicyclo[2.1.1]hex-1-ene?
The canonical SMILES for azane;5-ethylbicyclo[2.1.1]hex-1-ene is CCC1C2=CCC1C2.N.
What is the InChIKey of azane;5-ethylbicyclo[2.1.1]hex-1-ene?
The InChIKey is CMCSZWXVNCYBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.H3N/c1-2-8-6-3-4-7(8)5-6;/h3,7-8H,2,4-5H2,1H3;1H3.
What are the key properties of azane;5-ethylbicyclo[2.1.1]hex-1-ene?
azane;5-ethylbicyclo[2.1.1]hex-1-ene has a molecular weight of 125.21 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-ethylbicyclo[2.1.1]hex-1-ene is sourced from PubChem (CID 174366157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).