(2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl) acetate

C13H15NO2 — CID 58907322

IUPAC(2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl) acetate
SMILESCC(=O)OC12CC1CNC2c1ccccc1
InChIInChI=1S/C13H15NO2/c1-9(15)16-13-7-11(13)8-14-12(13)10-5-3-2-4-6-10/h2-6,11-12,14H,7-8H2,1H3
InChIKeyQVTIIEIECAJPPW-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.65
Rot. Bonds2

About (2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl) acetate

(2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl) acetate (PubChem CID 58907322) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl) acetate.

Molecular Properties

Compound Name(2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl) acetate
PubChem CID58907322
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl) acetate
SMILESCC(=O)OC12CC1CNC2c1ccccc1
InChIInChI=1S/C13H15NO2/c1-9(15)16-13-7-11(13)8-14-12(13)10-5-3-2-4-6-10/h2-6,11-12,14H,7-8H2,1H3
InChIKeyQVTIIEIECAJPPW-UHFFFAOYSA-N
XLogP1.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol
CID 58907340
(1R,2S)-2-phenyl-3-azabicyclo[3.1.0]hexan-1-ol
CID 69433064
acetic acid;2,5-diphenylpiperazine
CID 157254746
methyl 4-phenylpyrazolidine-3-carboxylate
CID 73198673
3,3-difluoro-5-methyl-2-phenylpiperidine
CID 167240440
(3R)-5-acetyl-3,4-diphenylpyrrolidine-3-carbonitrile
CID 167030258
ethane;(2S)-2-phenylaziridine
CID 145185749
[(2R,3R)-2-phenyl-3-propan-2-yloxetan-3-yl] acetate
CID 10944376
(1S,4R,5R)-5-phenyl-2-azabicyclo[2.2.1]heptane-5-carboxylic acid
CID 125485610
5-methyl-4-phenyl-1,3-thiazolidine-5-carboxylic acid
CID 121222060
[1-[(1R,2S)-2-acetyloxy-2-phenylcyclopropyl]-2-methylprop-1-enyl] 2,2-dimethylpropanoate
CID 54763763
(1-phenylcyclopropyl) acetate
CID 121216912

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl) acetate?
The IUPAC name of (2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl) acetate (CID 58907322) is (2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl) acetate.
What is the SMILES notation for (2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl) acetate?
The canonical SMILES for (2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl) acetate is CC(=O)OC12CC1CNC2c1ccccc1.
What is the InChIKey of (2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl) acetate?
The InChIKey is QVTIIEIECAJPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(15)16-13-7-11(13)8-14-12(13)10-5-3-2-4-6-10/h2-6,11-12,14H,7-8H2,1H3.
What are the key properties of (2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl) acetate?
(2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl) acetate has a molecular weight of 217.27 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl) acetate is sourced from PubChem (CID 58907322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).