3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one

C13H15NO2 — CID 115071395

IUPAC3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one
SMILESCOc1ccccc1CN1CC2CC2C1=O
InChIInChI=1S/C13H15NO2/c1-16-12-5-3-2-4-9(12)7-14-8-10-6-11(10)13(14)15/h2-5,10-11H,6-8H2,1H3
InChIKeyDEAFKTDQAUMFDK-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.67
Rot. Bonds3

About 3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one

3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 115071395) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID115071395
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one
SMILESCOc1ccccc1CN1CC2CC2C1=O
InChIInChI=1S/C13H15NO2/c1-16-12-5-3-2-4-9(12)7-14-8-10-6-11(10)13(14)15/h2-5,10-11H,6-8H2,1H3
InChIKeyDEAFKTDQAUMFDK-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(aminomethyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 75365946
(1R,2S,6S,7S)-4-[(2-methoxyphenyl)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6544546
3-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 70040357
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714138
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056
1-[(2-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 63863865
1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64878854
2-[(2-methoxyphenyl)methyl]-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinoline-1,4-dione
CID 3828179
4-[(2-methoxyphenyl)methyl]-2-methyl-5H-1,4-benzoxazepin-3-one
CID 53335578
5-(3-aminopropyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060056
3-[2-(2-aminophenyl)ethyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 84681805
6-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64875276

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one (CID 115071395) is 3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one is COc1ccccc1CN1CC2CC2C1=O.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is DEAFKTDQAUMFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-16-12-5-3-2-4-9(12)7-14-8-10-6-11(10)13(14)15/h2-5,10-11H,6-8H2,1H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one?
3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 115071395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).