4-methyl-3-azabicyclo[4.1.0]heptane

C7H13N — CID 21339025

IUPAC4-methyl-3-azabicyclo[4.1.0]heptane
SMILESCC1CC2CC2CN1
InChIInChI=1S/C7H13N/c1-5-2-6-3-7(6)4-8-5/h5-8H,2-4H2,1H3
InChIKeyUUEZEPHPMAHVDL-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.00
Rot. Bonds

About 4-methyl-3-azabicyclo[4.1.0]heptane

4-methyl-3-azabicyclo[4.1.0]heptane (PubChem CID 21339025) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 4-methyl-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name4-methyl-3-azabicyclo[4.1.0]heptane
PubChem CID21339025
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name4-methyl-3-azabicyclo[4.1.0]heptane
SMILESCC1CC2CC2CN1
InChIInChI=1S/C7H13N/c1-5-2-6-3-7(6)4-8-5/h5-8H,2-4H2,1H3
InChIKeyUUEZEPHPMAHVDL-UHFFFAOYSA-N
XLogP1.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 4-methyl-3-azabicyclo[4.1.0]heptane (CID 21339025) is 4-methyl-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 4-methyl-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 4-methyl-3-azabicyclo[4.1.0]heptane is CC1CC2CC2CN1.
What is the InChIKey of 4-methyl-3-azabicyclo[4.1.0]heptane?
The InChIKey is UUEZEPHPMAHVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-5-2-6-3-7(6)4-8-5/h5-8H,2-4H2,1H3.
What are the key properties of 4-methyl-3-azabicyclo[4.1.0]heptane?
4-methyl-3-azabicyclo[4.1.0]heptane has a molecular weight of 111.19 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 21339025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).