(1S,5R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-azabicyclo[3.1.0]hexane

C13H15NO — CID 44561254

IUPAC(1S,5R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-azabicyclo[3.1.0]hexane
SMILESc1cc2c(cc1[C@@]13CNC[C@@H]1C3)CCO2
InChIInChI=1S/C13H15NO/c1-2-12-9(3-4-15-12)5-10(1)13-6-11(13)7-14-8-13/h1-2,5,11,14H,3-4,6-8H2/t11-,13+/m0/s1
InChIKeyYFLOOUXSBOBGEV-WCQYABFASA-N
MW201.27 g/mol
LogP1.48
Rot. Bonds1

About (1S,5R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-azabicyclo[3.1.0]hexane

(1S,5R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 44561254) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (1S,5R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-azabicyclo[3.1.0]hexane
PubChem CID44561254
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(1S,5R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-azabicyclo[3.1.0]hexane
SMILESc1cc2c(cc1[C@@]13CNC[C@@H]1C3)CCO2
InChIInChI=1S/C13H15NO/c1-2-12-9(3-4-15-12)5-10(1)13-6-11(13)7-14-8-13/h1-2,5,11,14H,3-4,6-8H2/t11-,13+/m0/s1
InChIKeyYFLOOUXSBOBGEV-WCQYABFASA-N
XLogP1.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-Dihydrobenzofuran-5-yl)-N-methylpropan-2-amine
CID 112500533
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylcyclopropan-1-amine
CID 58035595
1-(4-Methoxyphenyl)-3-azabicyclo[3.1.0]hexane Hydrochloride
CID 12719856
1-(4-Ethoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 12719884
2H-spiro(1-benzofuran-3,4'-piperidine) hydrochloride
CID 19367088
2-(2,3-Dihydro-1-benzofuran-5-yl)ethan-1-amine hydrochloride
CID 22391011
4-(2,3-Dihydro-1-benzofuran-5-yl)pyrrolidin-2-one
CID 66107387
rac-(2R,6S)-8-oxa-4-azatricyclo(7.4.0.0,2,6)trideca-1(13),9,11-triene
CID 70205862
2H-Spiro(1-benzofuran-3,4'-piperidine)
CID 15187046
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propan-2-ylpiperidin-4-amine
CID 71986943
9-(Cyclopropylmethyl)-4-(2,3-dihydro-1-benzofuran-5-yl)-1-oxa-9-azaspiro[5.5]undecane
CID 178316528
1-[2-(2,3-Dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine
CID 70961223

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-azabicyclo[3.1.0]hexane (CID 44561254) is (1S,5R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-azabicyclo[3.1.0]hexane is c1cc2c(cc1[C@@]13CNC[C@@H]1C3)CCO2.
What is the InChIKey of (1S,5R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is YFLOOUXSBOBGEV-WCQYABFASA-N. The full InChI is InChI=1S/C13H15NO/c1-2-12-9(3-4-15-12)5-10(1)13-6-11(13)7-14-8-13/h1-2,5,11,14H,3-4,6-8H2/t11-,13+/m0/s1.
What are the key properties of (1S,5R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-azabicyclo[3.1.0]hexane?
(1S,5R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 201.27 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 44561254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).