ethane;8-methyl-8-azabicyclo[5.1.0]oct-3-ene

C10H19N — CID 91279361

IUPACethane;8-methyl-8-azabicyclo[5.1.0]oct-3-ene
SMILESCC.CN1C2CC=CCCC21
InChIInChI=1S/C8H13N.C2H6/c1-9-7-5-3-2-4-6-8(7)9;1-2/h2-3,7-8H,4-6H2,1H3;1-2H3
InChIKeyRHUXKEPCOSYGOC-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.44
Rot. Bonds

About ethane;8-methyl-8-azabicyclo[5.1.0]oct-3-ene

ethane;8-methyl-8-azabicyclo[5.1.0]oct-3-ene (PubChem CID 91279361) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is ethane;8-methyl-8-azabicyclo[5.1.0]oct-3-ene.

Molecular Properties

Compound Nameethane;8-methyl-8-azabicyclo[5.1.0]oct-3-ene
PubChem CID91279361
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Nameethane;8-methyl-8-azabicyclo[5.1.0]oct-3-ene
SMILESCC.CN1C2CC=CCCC21
InChIInChI=1S/C8H13N.C2H6/c1-9-7-5-3-2-4-6-8(7)9;1-2/h2-3,7-8H,4-6H2,1H3;1-2H3
InChIKeyRHUXKEPCOSYGOC-UHFFFAOYSA-N
XLogP2.44
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;8-methyl-8-azabicyclo[5.1.0]oct-3-ene?
The IUPAC name of ethane;8-methyl-8-azabicyclo[5.1.0]oct-3-ene (CID 91279361) is ethane;8-methyl-8-azabicyclo[5.1.0]oct-3-ene.
What is the SMILES notation for ethane;8-methyl-8-azabicyclo[5.1.0]oct-3-ene?
The canonical SMILES for ethane;8-methyl-8-azabicyclo[5.1.0]oct-3-ene is CC.CN1C2CC=CCCC21.
What is the InChIKey of ethane;8-methyl-8-azabicyclo[5.1.0]oct-3-ene?
The InChIKey is RHUXKEPCOSYGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C2H6/c1-9-7-5-3-2-4-6-8(7)9;1-2/h2-3,7-8H,4-6H2,1H3;1-2H3.
What are the key properties of ethane;8-methyl-8-azabicyclo[5.1.0]oct-3-ene?
ethane;8-methyl-8-azabicyclo[5.1.0]oct-3-ene has a molecular weight of 153.27 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methyl-8-azabicyclo[5.1.0]oct-3-ene is sourced from PubChem (CID 91279361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).