(1R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane

C15H15N — CID 91667621

IUPAC(1R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane
SMILESc1ccc2cc([C@]34CNCC3C4)ccc2c1
InChIInChI=1S/C15H15N/c1-2-4-12-7-13(6-5-11(12)3-1)15-8-14(15)9-16-10-15/h1-7,14,16H,8-10H2/t14?,15-/m0/s1
InChIKeyHKHCSWPSUSWGLI-LOACHALJSA-N
MW209.29 g/mol
LogP2.70
Rot. Bonds1

About (1R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane

(1R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 91667621) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is (1R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID91667621
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name(1R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane
SMILESc1ccc2cc([C@]34CNCC3C4)ccc2c1
InChIInChI=1S/C15H15N/c1-2-4-12-7-13(6-5-11(12)3-1)15-8-14(15)9-16-10-15/h1-7,14,16H,8-10H2/t14?,15-/m0/s1
InChIKeyHKHCSWPSUSWGLI-LOACHALJSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane (CID 91667621) is (1R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane is c1ccc2cc([C@]34CNCC3C4)ccc2c1.
What is the InChIKey of (1R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is HKHCSWPSUSWGLI-LOACHALJSA-N. The full InChI is InChI=1S/C15H15N/c1-2-4-12-7-13(6-5-11(12)3-1)15-8-14(15)9-16-10-15/h1-7,14,16H,8-10H2/t14?,15-/m0/s1.
What are the key properties of (1R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane?
(1R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 209.29 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 91667621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).