2-methyl-2-azabicyclo[2.2.1]hept-1(6)-ene

C7H11N — CID 67863163

IUPAC2-methyl-2-azabicyclo[2.2.1]hept-1(6)-ene
SMILESCN1CC2CC=C1C2
InChIInChI=1S/C7H11N/c1-8-5-6-2-3-7(8)4-6/h3,6H,2,4-5H2,1H3
InChIKeyWCJZPHZSQOMQDC-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.23
Rot. Bonds

About 2-methyl-2-azabicyclo[2.2.1]hept-1(6)-ene

2-methyl-2-azabicyclo[2.2.1]hept-1(6)-ene (PubChem CID 67863163) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2-methyl-2-azabicyclo[2.2.1]hept-1(6)-ene.

Molecular Properties

Compound Name2-methyl-2-azabicyclo[2.2.1]hept-1(6)-ene
PubChem CID67863163
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2-methyl-2-azabicyclo[2.2.1]hept-1(6)-ene
SMILESCN1CC2CC=C1C2
InChIInChI=1S/C7H11N/c1-8-5-6-2-3-7(8)4-6/h3,6H,2,4-5H2,1H3
InChIKeyWCJZPHZSQOMQDC-UHFFFAOYSA-N
XLogP1.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-azabicyclo[2.2.1]hept-1(6)-ene?
The IUPAC name of 2-methyl-2-azabicyclo[2.2.1]hept-1(6)-ene (CID 67863163) is 2-methyl-2-azabicyclo[2.2.1]hept-1(6)-ene.
What is the SMILES notation for 2-methyl-2-azabicyclo[2.2.1]hept-1(6)-ene?
The canonical SMILES for 2-methyl-2-azabicyclo[2.2.1]hept-1(6)-ene is CN1CC2CC=C1C2.
What is the InChIKey of 2-methyl-2-azabicyclo[2.2.1]hept-1(6)-ene?
The InChIKey is WCJZPHZSQOMQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-8-5-6-2-3-7(8)4-6/h3,6H,2,4-5H2,1H3.
What are the key properties of 2-methyl-2-azabicyclo[2.2.1]hept-1(6)-ene?
2-methyl-2-azabicyclo[2.2.1]hept-1(6)-ene has a molecular weight of 109.17 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-azabicyclo[2.2.1]hept-1(6)-ene is sourced from PubChem (CID 67863163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).