(1R,6R)-7-ethyl-7-azabicyclo[4.2.0]octane

C9H17N — CID 130709044

IUPAC(1R,6R)-7-ethyl-7-azabicyclo[4.2.0]octane
SMILESCCN1C[C@H]2CCCC[C@H]21
InChIInChI=1S/C9H17N/c1-2-10-7-8-5-3-4-6-9(8)10/h8-9H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyDZGWSAXHLGVNRU-RKDXNWHRSA-N
MW139.24 g/mol
LogP1.88
Rot. Bonds1

About (1R,6R)-7-ethyl-7-azabicyclo[4.2.0]octane

(1R,6R)-7-ethyl-7-azabicyclo[4.2.0]octane (PubChem CID 130709044) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (1R,6R)-7-ethyl-7-azabicyclo[4.2.0]octane.

Molecular Properties

Compound Name(1R,6R)-7-ethyl-7-azabicyclo[4.2.0]octane
PubChem CID130709044
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(1R,6R)-7-ethyl-7-azabicyclo[4.2.0]octane
SMILESCCN1C[C@H]2CCCC[C@H]21
InChIInChI=1S/C9H17N/c1-2-10-7-8-5-3-4-6-9(8)10/h8-9H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyDZGWSAXHLGVNRU-RKDXNWHRSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,6R)-7-ethyl-7-azabicyclo[4.2.0]octane?
The IUPAC name of (1R,6R)-7-ethyl-7-azabicyclo[4.2.0]octane (CID 130709044) is (1R,6R)-7-ethyl-7-azabicyclo[4.2.0]octane.
What is the SMILES notation for (1R,6R)-7-ethyl-7-azabicyclo[4.2.0]octane?
The canonical SMILES for (1R,6R)-7-ethyl-7-azabicyclo[4.2.0]octane is CCN1C[C@H]2CCCC[C@H]21.
What is the InChIKey of (1R,6R)-7-ethyl-7-azabicyclo[4.2.0]octane?
The InChIKey is DZGWSAXHLGVNRU-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H17N/c1-2-10-7-8-5-3-4-6-9(8)10/h8-9H,2-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of (1R,6R)-7-ethyl-7-azabicyclo[4.2.0]octane?
(1R,6R)-7-ethyl-7-azabicyclo[4.2.0]octane has a molecular weight of 139.24 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-7-ethyl-7-azabicyclo[4.2.0]octane is sourced from PubChem (CID 130709044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).