8-benzyl-8-azabicyclo[5.1.0]oct-2-ene

C14H17N — CID 11063430

IUPAC8-benzyl-8-azabicyclo[5.1.0]oct-2-ene
SMILESC1=CC2C(CCC1)N2Cc1ccccc1
InChIInChI=1S/C14H17N/c1-3-7-12(8-4-1)11-15-13-9-5-2-6-10-14(13)15/h1,3-5,7-9,13-14H,2,6,10-11H2
InChIKeyIHGOFKQHHOCNNC-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.98
Rot. Bonds2

About 8-benzyl-8-azabicyclo[5.1.0]oct-2-ene

8-benzyl-8-azabicyclo[5.1.0]oct-2-ene (PubChem CID 11063430) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 8-benzyl-8-azabicyclo[5.1.0]oct-2-ene.

Molecular Properties

Compound Name8-benzyl-8-azabicyclo[5.1.0]oct-2-ene
PubChem CID11063430
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name8-benzyl-8-azabicyclo[5.1.0]oct-2-ene
SMILESC1=CC2C(CCC1)N2Cc1ccccc1
InChIInChI=1S/C14H17N/c1-3-7-12(8-4-1)11-15-13-9-5-2-6-10-14(13)15/h1,3-5,7-9,13-14H,2,6,10-11H2
InChIKeyIHGOFKQHHOCNNC-UHFFFAOYSA-N
XLogP2.98
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
[(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol
CID 59404485
9-benzyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 102364241
cyclohex-2-en-1-ylsulfanylmethylbenzene
CID 13380558
but-3-enylbenzene;3-chlorocyclohexene
CID 144775222
(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 98110557
1-benzylpiperidine-2,6-dicarboxylic acid;hydrochloride
CID 67045968
azidomethylbenzene;9-benzyl-9-azabicyclo[6.1.0]nonane;cyclooctene
CID 158872067
2-[1-benzyl-6-(cyanomethyl)piperidin-2-yl]acetonitrile
CID 11118591
(1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 138376241
N,N-dibenzylcyclohex-2-en-1-amine oxide
CID 91550132
9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 53408523

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-8-azabicyclo[5.1.0]oct-2-ene?
The IUPAC name of 8-benzyl-8-azabicyclo[5.1.0]oct-2-ene (CID 11063430) is 8-benzyl-8-azabicyclo[5.1.0]oct-2-ene.
What is the SMILES notation for 8-benzyl-8-azabicyclo[5.1.0]oct-2-ene?
The canonical SMILES for 8-benzyl-8-azabicyclo[5.1.0]oct-2-ene is C1=CC2C(CCC1)N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-8-azabicyclo[5.1.0]oct-2-ene?
The InChIKey is IHGOFKQHHOCNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-3-7-12(8-4-1)11-15-13-9-5-2-6-10-14(13)15/h1,3-5,7-9,13-14H,2,6,10-11H2.
What are the key properties of 8-benzyl-8-azabicyclo[5.1.0]oct-2-ene?
8-benzyl-8-azabicyclo[5.1.0]oct-2-ene has a molecular weight of 199.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-8-azabicyclo[5.1.0]oct-2-ene is sourced from PubChem (CID 11063430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).