(1R,6S)-7-azabicyclo[4.1.0]heptane

C6H11N — CID 637980

IUPAC(1R,6S)-7-azabicyclo[4.1.0]heptane
SMILESC1CC[C@H]2N[C@H]2C1
InChIInChI=1S/C6H11N/c1-2-4-6-5(3-1)7-6/h5-7H,1-4H2/t5-,6+
InChIKeyDINLIZUFVHTMDX-OLQVQODUSA-N
MW97.16 g/mol
LogP0.90
Rot. Bonds

About (1R,6S)-7-azabicyclo[4.1.0]heptane

(1R,6S)-7-azabicyclo[4.1.0]heptane (PubChem CID 637980) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is (1R,6S)-7-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R,6S)-7-azabicyclo[4.1.0]heptane
PubChem CID637980
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name(1R,6S)-7-azabicyclo[4.1.0]heptane
SMILESC1CC[C@H]2N[C@H]2C1
InChIInChI=1S/C6H11N/c1-2-4-6-5(3-1)7-6/h5-7H,1-4H2/t5-,6+
InChIKeyDINLIZUFVHTMDX-OLQVQODUSA-N
XLogP0.90
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.90
H-Bond Donors ≤ 51
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 (1R,6S)-7-azabicyclo[4.1.0]heptane?
The IUPAC name of (1R,6S)-7-azabicyclo[4.1.0]heptane (CID 637980) is (1R,6S)-7-azabicyclo[4.1.0]heptane.
What is the SMILES notation for (1R,6S)-7-azabicyclo[4.1.0]heptane?
The canonical SMILES for (1R,6S)-7-azabicyclo[4.1.0]heptane is C1CC[C@H]2N[C@H]2C1.
What is the InChIKey of (1R,6S)-7-azabicyclo[4.1.0]heptane?
The InChIKey is DINLIZUFVHTMDX-OLQVQODUSA-N. The full InChI is InChI=1S/C6H11N/c1-2-4-6-5(3-1)7-6/h5-7H,1-4H2/t5-,6+.
What are the key properties of (1R,6S)-7-azabicyclo[4.1.0]heptane?
(1R,6S)-7-azabicyclo[4.1.0]heptane has a molecular weight of 97.16 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-7-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 637980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).