3-methyl-1-azabicyclo[4.1.0]heptane

C7H13N — CID 154552720

IUPAC3-methyl-1-azabicyclo[4.1.0]heptane
SMILESCC1CCC2CN2C1
InChIInChI=1S/C7H13N/c1-6-2-3-7-5-8(7)4-6/h6-7H,2-5H2,1H3
InChIKeyYWZIUUUHENIXAW-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.10
Rot. Bonds

About 3-methyl-1-azabicyclo[4.1.0]heptane

3-methyl-1-azabicyclo[4.1.0]heptane (PubChem CID 154552720) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 3-methyl-1-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-methyl-1-azabicyclo[4.1.0]heptane
PubChem CID154552720
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name3-methyl-1-azabicyclo[4.1.0]heptane
SMILESCC1CCC2CN2C1
InChIInChI=1S/C7H13N/c1-6-2-3-7-5-8(7)4-6/h6-7H,2-5H2,1H3
InChIKeyYWZIUUUHENIXAW-UHFFFAOYSA-N
XLogP1.10
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-azabicyclo[4.1.0]heptane?
The IUPAC name of 3-methyl-1-azabicyclo[4.1.0]heptane (CID 154552720) is 3-methyl-1-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-methyl-1-azabicyclo[4.1.0]heptane?
The canonical SMILES for 3-methyl-1-azabicyclo[4.1.0]heptane is CC1CCC2CN2C1.
What is the InChIKey of 3-methyl-1-azabicyclo[4.1.0]heptane?
The InChIKey is YWZIUUUHENIXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-6-2-3-7-5-8(7)4-6/h6-7H,2-5H2,1H3.
What are the key properties of 3-methyl-1-azabicyclo[4.1.0]heptane?
3-methyl-1-azabicyclo[4.1.0]heptane has a molecular weight of 111.19 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 154552720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).