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

C13H16N2O2 — CID 105491011

IUPAC4-(aminomethyl)-3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one
SMILESCOc1ccccc1N1C(=O)C2CC2C1CN
InChIInChI=1S/C13H16N2O2/c1-17-12-5-3-2-4-10(12)15-11(7-14)8-6-9(8)13(15)16/h2-5,8-9,11H,6-7,14H2,1H3
InChIKeyWNHAXMIQUQBPMI-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.01
Rot. Bonds3

About 4-(aminomethyl)-3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one

4-(aminomethyl)-3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 105491011) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-(aminomethyl)-3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID105491011
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-(aminomethyl)-3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one
SMILESCOc1ccccc1N1C(=O)C2CC2C1CN
InChIInChI=1S/C13H16N2O2/c1-17-12-5-3-2-4-10(12)15-11(7-14)8-6-9(8)13(15)16/h2-5,8-9,11H,6-7,14H2,1H3
InChIKeyWNHAXMIQUQBPMI-UHFFFAOYSA-N
XLogP1.01
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 105470065
4-(aminomethyl)-2-(2-methoxyphenyl)-5-methyl-4H-pyrazol-3-one
CID 79219836
2-(2-methoxyphenyl)-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 102474362
2-(2-methoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2847719
(1S,2S,6R,7S,8S,10R)-4-(2-methoxyphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 124715203
[2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545248
(3aS,5R,7aR)-2-(2-methoxyphenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11894363
5-(hydroxymethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 90463062
3-cyclopropyl-6-ethyl-1-(2-methoxyphenyl)piperazine-2,5-dione
CID 64956371
(3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine
CID 159772789
4-(2-aminoethyl)-5-ethyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one
CID 63973983
(1R,2R,6R,7R,8R)-4-(2-methoxyphenyl)-8-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98214059

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 4-(aminomethyl)-3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one (CID 105491011) is 4-(aminomethyl)-3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 4-(aminomethyl)-3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 4-(aminomethyl)-3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one is COc1ccccc1N1C(=O)C2CC2C1CN.
What is the InChIKey of 4-(aminomethyl)-3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is WNHAXMIQUQBPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-17-12-5-3-2-4-10(12)15-11(7-14)8-6-9(8)13(15)16/h2-5,8-9,11H,6-7,14H2,1H3.
What are the key properties of 4-(aminomethyl)-3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one?
4-(aminomethyl)-3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 105491011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).