3-ethyl-2-methyl-2-azabicyclo[2.1.0]pentane

C7H13N — CID 123611758

IUPAC3-ethyl-2-methyl-2-azabicyclo[2.1.0]pentane
SMILESCCC1C2CC2N1C
InChIInChI=1S/C7H13N/c1-3-6-5-4-7(5)8(6)2/h5-7H,3-4H2,1-2H3
InChIKeyIDYHVVYCBLVHMJ-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.10
Rot. Bonds1

About 3-ethyl-2-methyl-2-azabicyclo[2.1.0]pentane

3-ethyl-2-methyl-2-azabicyclo[2.1.0]pentane (PubChem CID 123611758) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 3-ethyl-2-methyl-2-azabicyclo[2.1.0]pentane.

Molecular Properties

Compound Name3-ethyl-2-methyl-2-azabicyclo[2.1.0]pentane
PubChem CID123611758
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name3-ethyl-2-methyl-2-azabicyclo[2.1.0]pentane
SMILESCCC1C2CC2N1C
InChIInChI=1S/C7H13N/c1-3-6-5-4-7(5)8(6)2/h5-7H,3-4H2,1-2H3
InChIKeyIDYHVVYCBLVHMJ-UHFFFAOYSA-N
XLogP1.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-2-azabicyclo[2.1.0]pentane?
The IUPAC name of 3-ethyl-2-methyl-2-azabicyclo[2.1.0]pentane (CID 123611758) is 3-ethyl-2-methyl-2-azabicyclo[2.1.0]pentane.
What is the SMILES notation for 3-ethyl-2-methyl-2-azabicyclo[2.1.0]pentane?
The canonical SMILES for 3-ethyl-2-methyl-2-azabicyclo[2.1.0]pentane is CCC1C2CC2N1C.
What is the InChIKey of 3-ethyl-2-methyl-2-azabicyclo[2.1.0]pentane?
The InChIKey is IDYHVVYCBLVHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-3-6-5-4-7(5)8(6)2/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-2-azabicyclo[2.1.0]pentane?
3-ethyl-2-methyl-2-azabicyclo[2.1.0]pentane has a molecular weight of 111.19 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-2-azabicyclo[2.1.0]pentane is sourced from PubChem (CID 123611758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).