3-azabicyclo[3.1.0]hexan-3-yl-(3-hydroxyphenyl)methanone

C12H13NO2 — CID 84582108

IUPAC3-azabicyclo[3.1.0]hexan-3-yl-(3-hydroxyphenyl)methanone
SMILESO=C(c1cccc(O)c1)N1CC2CC2C1
InChIInChI=1S/C12H13NO2/c14-11-3-1-2-8(5-11)12(15)13-6-9-4-10(9)7-13/h1-3,5,9-10,14H,4,6-7H2
InChIKeyJOZOFWXWORHLOH-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.48
Rot. Bonds1

About 3-azabicyclo[3.1.0]hexan-3-yl-(3-hydroxyphenyl)methanone

3-azabicyclo[3.1.0]hexan-3-yl-(3-hydroxyphenyl)methanone (PubChem CID 84582108) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-azabicyclo[3.1.0]hexan-3-yl-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name3-azabicyclo[3.1.0]hexan-3-yl-(3-hydroxyphenyl)methanone
PubChem CID84582108
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-azabicyclo[3.1.0]hexan-3-yl-(3-hydroxyphenyl)methanone
SMILESO=C(c1cccc(O)c1)N1CC2CC2C1
InChIInChI=1S/C12H13NO2/c14-11-3-1-2-8(5-11)12(15)13-6-9-4-10(9)7-13/h1-3,5,9-10,14H,4,6-7H2
InChIKeyJOZOFWXWORHLOH-UHFFFAOYSA-N
XLogP1.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone
CID 79403646
3-azabicyclo[3.1.0]hexan-3-yl-[3-(difluoromethyl)phenyl]methanone
CID 168961119
1-[4-[1-(3-hydroxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84582046
(4-ethylsulfonylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 108570193
(1R,2S,8S,9S)-8-(cyclohexylmethyl)-11-(3-hydroxybenzoyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 164688616
(3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426598
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
(3-hydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62973507
(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818037
[4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 43133362
[4-(bromomethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 80677526

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.1.0]hexan-3-yl-(3-hydroxyphenyl)methanone?
The IUPAC name of 3-azabicyclo[3.1.0]hexan-3-yl-(3-hydroxyphenyl)methanone (CID 84582108) is 3-azabicyclo[3.1.0]hexan-3-yl-(3-hydroxyphenyl)methanone.
What is the SMILES notation for 3-azabicyclo[3.1.0]hexan-3-yl-(3-hydroxyphenyl)methanone?
The canonical SMILES for 3-azabicyclo[3.1.0]hexan-3-yl-(3-hydroxyphenyl)methanone is O=C(c1cccc(O)c1)N1CC2CC2C1.
What is the InChIKey of 3-azabicyclo[3.1.0]hexan-3-yl-(3-hydroxyphenyl)methanone?
The InChIKey is JOZOFWXWORHLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-11-3-1-2-8(5-11)12(15)13-6-9-4-10(9)7-13/h1-3,5,9-10,14H,4,6-7H2.
What are the key properties of 3-azabicyclo[3.1.0]hexan-3-yl-(3-hydroxyphenyl)methanone?
3-azabicyclo[3.1.0]hexan-3-yl-(3-hydroxyphenyl)methanone has a molecular weight of 203.24 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 3-azabicyclo[3.1.0]hexan-3-yl-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 84582108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).