1-phenyl-3-azabicyclo[3.2.0]heptane

C12H15N — CID 84766513

IUPAC1-phenyl-3-azabicyclo[3.2.0]heptane
SMILESc1ccc(C23CCC2CNC3)cc1
InChIInChI=1S/C12H15N/c1-2-4-10(5-3-1)12-7-6-11(12)8-13-9-12/h1-5,11,13H,6-9H2
InChIKeyOKAAPWKJECLRHG-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.94
Rot. Bonds1

About 1-phenyl-3-azabicyclo[3.2.0]heptane

1-phenyl-3-azabicyclo[3.2.0]heptane (PubChem CID 84766513) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-phenyl-3-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name1-phenyl-3-azabicyclo[3.2.0]heptane
PubChem CID84766513
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name1-phenyl-3-azabicyclo[3.2.0]heptane
SMILESc1ccc(C23CCC2CNC3)cc1
InChIInChI=1S/C12H15N/c1-2-4-10(5-3-1)12-7-6-11(12)8-13-9-12/h1-5,11,13H,6-9H2
InChIKeyOKAAPWKJECLRHG-UHFFFAOYSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-phenyl-3-azabicyclo[3.2.0]heptane
CID 143290504
1-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane
CID 84770532
4-(3-azabicyclo[3.2.0]heptan-1-yl)phenol
CID 84771191
ethane;1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90822722
ethane;1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90902808
ethane;(1R,5S)-1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90850243
3-(1-phenylcyclopropyl)piperidine;hydrochloride
CID 162342001
(3aR,6aS)-3a-naphthalen-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 53391718
1-(4-phenylphenyl)-3-azabicyclo[3.1.0]hexane
CID 13279027
4-phenyl-4-pyrrolidin-3-ylcyclohexan-1-one
CID 57475104
1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
CID 42582087
1-(4-benzylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 86062450

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-azabicyclo[3.2.0]heptane?
The IUPAC name of 1-phenyl-3-azabicyclo[3.2.0]heptane (CID 84766513) is 1-phenyl-3-azabicyclo[3.2.0]heptane.
What is the SMILES notation for 1-phenyl-3-azabicyclo[3.2.0]heptane?
The canonical SMILES for 1-phenyl-3-azabicyclo[3.2.0]heptane is c1ccc(C23CCC2CNC3)cc1.
What is the InChIKey of 1-phenyl-3-azabicyclo[3.2.0]heptane?
The InChIKey is OKAAPWKJECLRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-2-4-10(5-3-1)12-7-6-11(12)8-13-9-12/h1-5,11,13H,6-9H2.
What are the key properties of 1-phenyl-3-azabicyclo[3.2.0]heptane?
1-phenyl-3-azabicyclo[3.2.0]heptane has a molecular weight of 173.26 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 84766513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).