5-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpyridin-2-one

C15H16N2O2 — CID 79355230

IUPAC5-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpyridin-2-one
SMILESCc1cc(=O)n(CC2COc3ccccc32)cc1N
InChIInChI=1S/C15H16N2O2/c1-10-6-15(18)17(8-13(10)16)7-11-9-19-14-5-3-2-4-12(11)14/h2-6,8,11H,7,9,16H2,1H3
InChIKeyMSLGPVYDPSRWIH-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.92
Rot. Bonds2

About 5-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpyridin-2-one

5-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpyridin-2-one (PubChem CID 79355230) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpyridin-2-one
PubChem CID79355230
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name5-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpyridin-2-one
SMILESCc1cc(=O)n(CC2COc3ccccc32)cc1N
InChIInChI=1S/C15H16N2O2/c1-10-6-15(18)17(8-13(10)16)7-11-9-19-14-5-3-2-4-12(11)14/h2-6,8,11H,7,9,16H2,1H3
InChIKeyMSLGPVYDPSRWIH-UHFFFAOYSA-N
XLogP1.92
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methylpyridin-2-one
CID 107073081
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylimidazol-2-one
CID 116625117
ethyl 4-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazole-3-carboxylate
CID 107344933
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methyl-2-oxopyridine-3-carboxylic acid
CID 79219227
6-chloro-3-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrimidin-4-one
CID 114582018
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-iodo-4-methylpyridin-2-one
CID 79784821
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,7-dimethyl-1,4-diazepane-2,5-dione
CID 79218362
6-chloro-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5-iodopyrimidin-4-one
CID 114583853
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperidin-4-amine
CID 113284538
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole-5-carbaldehyde
CID 102910583
6-chloro-3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylpyrimidin-4-one
CID 114581590
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
CID 110751798

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpyridin-2-one?
The IUPAC name of 5-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpyridin-2-one (CID 79355230) is 5-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpyridin-2-one.
What is the SMILES notation for 5-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpyridin-2-one?
The canonical SMILES for 5-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpyridin-2-one is Cc1cc(=O)n(CC2COc3ccccc32)cc1N.
What is the InChIKey of 5-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpyridin-2-one?
The InChIKey is MSLGPVYDPSRWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-6-15(18)17(8-13(10)16)7-11-9-19-14-5-3-2-4-12(11)14/h2-6,8,11H,7,9,16H2,1H3.
What are the key properties of 5-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpyridin-2-one?
5-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpyridin-2-one has a molecular weight of 256.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpyridin-2-one is sourced from PubChem (CID 79355230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).