(1S,6R)-6-phenyl-3-azabicyclo[3.2.0]heptane

C12H15N — CID 90760686

IUPAC(1S,6R)-6-phenyl-3-azabicyclo[3.2.0]heptane
SMILESc1ccc([C@@H]2C[C@@H]3CNCC32)cc1
InChIInChI=1S/C12H15N/c1-2-4-9(5-3-1)11-6-10-7-13-8-12(10)11/h1-5,10-13H,6-8H2/t10-,11+,12?/m1/s1
InChIKeyZEICVRUUVHTYRQ-UBNQGINQSA-N
MW173.26 g/mol
LogP2.01
Rot. Bonds1

About (1S,6R)-6-phenyl-3-azabicyclo[3.2.0]heptane

(1S,6R)-6-phenyl-3-azabicyclo[3.2.0]heptane (PubChem CID 90760686) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (1S,6R)-6-phenyl-3-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(1S,6R)-6-phenyl-3-azabicyclo[3.2.0]heptane
PubChem CID90760686
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(1S,6R)-6-phenyl-3-azabicyclo[3.2.0]heptane
SMILESc1ccc([C@@H]2C[C@@H]3CNCC32)cc1
InChIInChI=1S/C12H15N/c1-2-4-9(5-3-1)11-6-10-7-13-8-12(10)11/h1-5,10-13H,6-8H2/t10-,11+,12?/m1/s1
InChIKeyZEICVRUUVHTYRQ-UBNQGINQSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,5S,6R)-6-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane
CID 124583210
(1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane
CID 11298447
6-(3-methylphenyl)-3-azabicyclo[3.2.0]heptane
CID 19963580
(1R,5R,6R)-6-(4-propan-2-ylphenyl)-3-azabicyclo[3.2.0]heptane
CID 125453576
(1R,5R,6R)-6-(2-bromophenyl)-3-azabicyclo[3.2.0]heptane
CID 125455003
(3S,4R)-4-phenylpyrrolidin-3-ol
CID 25067300
6-(3,4-dimethoxyphenyl)-3-azabicyclo[3.2.0]heptane
CID 19963625
6-phenyl-3-oxabicyclo[3.2.0]heptane
CID 73299099
(1S,5R)-N-[(1R)-2-phenylcyclopropyl]-3-azabicyclo[3.1.1]heptan-6-amine
CID 129290812
(3R,4S)-4-phenylpyrrolidin-3-ol;hydrochloride
CID 162341594
(1S,2S,4R,7R)-2-phenylbicyclo[2.2.1]heptan-7-ol
CID 102585788
(3aS,4R,6aS)-5-methyl-4-phenyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 124709504

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-6-phenyl-3-azabicyclo[3.2.0]heptane?
The IUPAC name of (1S,6R)-6-phenyl-3-azabicyclo[3.2.0]heptane (CID 90760686) is (1S,6R)-6-phenyl-3-azabicyclo[3.2.0]heptane.
What is the SMILES notation for (1S,6R)-6-phenyl-3-azabicyclo[3.2.0]heptane?
The canonical SMILES for (1S,6R)-6-phenyl-3-azabicyclo[3.2.0]heptane is c1ccc([C@@H]2C[C@@H]3CNCC32)cc1.
What is the InChIKey of (1S,6R)-6-phenyl-3-azabicyclo[3.2.0]heptane?
The InChIKey is ZEICVRUUVHTYRQ-UBNQGINQSA-N. The full InChI is InChI=1S/C12H15N/c1-2-4-9(5-3-1)11-6-10-7-13-8-12(10)11/h1-5,10-13H,6-8H2/t10-,11+,12?/m1/s1.
What are the key properties of (1S,6R)-6-phenyl-3-azabicyclo[3.2.0]heptane?
(1S,6R)-6-phenyl-3-azabicyclo[3.2.0]heptane has a molecular weight of 173.26 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-6-phenyl-3-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 90760686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).