6-(hydroxymethyl)-3-phenyl-3-azabicyclo[3.1.0]hexan-2-one

C12H13NO2 — CID 115009727

IUPAC6-(hydroxymethyl)-3-phenyl-3-azabicyclo[3.1.0]hexan-2-one
SMILESO=C1C2C(CO)C2CN1c1ccccc1
InChIInChI=1S/C12H13NO2/c14-7-10-9-6-13(12(15)11(9)10)8-4-2-1-3-5-8/h1-5,9-11,14H,6-7H2
InChIKeyYGTAFYLJBPSCSV-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.89
Rot. Bonds2

About 6-(hydroxymethyl)-3-phenyl-3-azabicyclo[3.1.0]hexan-2-one

6-(hydroxymethyl)-3-phenyl-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 115009727) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 6-(hydroxymethyl)-3-phenyl-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-3-phenyl-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID115009727
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name6-(hydroxymethyl)-3-phenyl-3-azabicyclo[3.1.0]hexan-2-one
SMILESO=C1C2C(CO)C2CN1c1ccccc1
InChIInChI=1S/C12H13NO2/c14-7-10-9-6-13(12(15)11(9)10)8-4-2-1-3-5-8/h1-5,9-11,14H,6-7H2
InChIKeyYGTAFYLJBPSCSV-UHFFFAOYSA-N
XLogP0.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5S,6S)-6-(bromomethyl)-3-phenyl-3-azabicyclo[3.1.0]hexan-2-one
CID 146464452
6-(hydroxymethyl)-3-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 115009739
3-(2-bromophenyl)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 115009765
2-oxo-3-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 115009749
3-[(4-chlorophenyl)methyl]-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 115009672
2-(hydroxymethyl)-4-phenylmorpholin-3-one
CID 117008608
(1S,5R,7R)-4-oxo-3-phenyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid
CID 71747890
(3S,4S)-4-amino-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 167011785
(3aS,6aR)-2-(3-hydroxypropanoyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 124787764
6-(aminomethyl)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 115009760
N-[2-[(1S,5R,6R)-2-oxo-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 162502091
3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptan-2-one
CID 84771045

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-3-phenyl-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 6-(hydroxymethyl)-3-phenyl-3-azabicyclo[3.1.0]hexan-2-one (CID 115009727) is 6-(hydroxymethyl)-3-phenyl-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 6-(hydroxymethyl)-3-phenyl-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 6-(hydroxymethyl)-3-phenyl-3-azabicyclo[3.1.0]hexan-2-one is O=C1C2C(CO)C2CN1c1ccccc1.
What is the InChIKey of 6-(hydroxymethyl)-3-phenyl-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is YGTAFYLJBPSCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-7-10-9-6-13(12(15)11(9)10)8-4-2-1-3-5-8/h1-5,9-11,14H,6-7H2.
What are the key properties of 6-(hydroxymethyl)-3-phenyl-3-azabicyclo[3.1.0]hexan-2-one?
6-(hydroxymethyl)-3-phenyl-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 203.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-3-phenyl-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 115009727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).