(1R,6R)-7-azabicyclo[4.2.0]oct-4-ene

C7H11N — CID 167728618

IUPAC(1R,6R)-7-azabicyclo[4.2.0]oct-4-ene
SMILESC1=C[C@H]2NC[C@H]2CC1
InChIInChI=1S/C7H11N/c1-2-4-7-6(3-1)5-8-7/h2,4,6-8H,1,3,5H2/t6-,7-/m1/s1
InChIKeySIWDEWAILLSTAR-RNFRBKRXSA-N
MW109.17 g/mol
LogP0.92
Rot. Bonds

About (1R,6R)-7-azabicyclo[4.2.0]oct-4-ene

(1R,6R)-7-azabicyclo[4.2.0]oct-4-ene (PubChem CID 167728618) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (1R,6R)-7-azabicyclo[4.2.0]oct-4-ene.

Molecular Properties

Compound Name(1R,6R)-7-azabicyclo[4.2.0]oct-4-ene
PubChem CID167728618
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(1R,6R)-7-azabicyclo[4.2.0]oct-4-ene
SMILESC1=C[C@H]2NC[C@H]2CC1
InChIInChI=1S/C7H11N/c1-2-4-7-6(3-1)5-8-7/h2,4,6-8H,1,3,5H2/t6-,7-/m1/s1
InChIKeySIWDEWAILLSTAR-RNFRBKRXSA-N
XLogP0.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Rac-(1R,6R)-7-azabicyclo[4.2.0]oct-3-ene
CID 137944903
6-Azabicyclo[3.2.1]oct-3-ene
CID 57766358
2-(4-Fluorocyclohexa-2,4-dien-1-yl)azetidine
CID 144056574
CID 12471320
CID 12471320
6-Cyclohept-4-en-1-yl-1,2,3,6-tetrahydropyridine
CID 23223757
7-Azabicyclo[4.2.0]oct-3-ene
CID 53438709
2-Azabicyclo[3.3.1]non-7-ene
CID 55299652
6-Azabicyclo[3.2.0]hept-3-ene
CID 58247571
N,6-dimethylcyclohex-2-en-1-amine
CID 58247677
(6Z)-2,3-dimethyl-1,2,3,4,5,8-hexahydroazocine
CID 58293712
3-Methyl-2-azabicyclo[2.2.0]hex-5-ene
CID 60014971
4-methyl-N-pentylcyclohex-2-en-1-amine
CID 89566602

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-7-azabicyclo[4.2.0]oct-4-ene?
The IUPAC name of (1R,6R)-7-azabicyclo[4.2.0]oct-4-ene (CID 167728618) is (1R,6R)-7-azabicyclo[4.2.0]oct-4-ene.
What is the SMILES notation for (1R,6R)-7-azabicyclo[4.2.0]oct-4-ene?
The canonical SMILES for (1R,6R)-7-azabicyclo[4.2.0]oct-4-ene is C1=C[C@H]2NC[C@H]2CC1.
What is the InChIKey of (1R,6R)-7-azabicyclo[4.2.0]oct-4-ene?
The InChIKey is SIWDEWAILLSTAR-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H11N/c1-2-4-7-6(3-1)5-8-7/h2,4,6-8H,1,3,5H2/t6-,7-/m1/s1.
What are the key properties of (1R,6R)-7-azabicyclo[4.2.0]oct-4-ene?
(1R,6R)-7-azabicyclo[4.2.0]oct-4-ene has a molecular weight of 109.17 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-7-azabicyclo[4.2.0]oct-4-ene is sourced from PubChem (CID 167728618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).