3-(aminomethyl)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methylpyridin-2-one

C16H18N2O2 — CID 107073081

IUPAC3-(aminomethyl)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methylpyridin-2-one
SMILESCc1ccc(CN)c(=O)n1CC1COc2ccccc21
InChIInChI=1S/C16H18N2O2/c1-11-6-7-12(8-17)16(19)18(11)9-13-10-20-15-5-3-2-4-14(13)15/h2-7,13H,8-10,17H2,1H3
InChIKeyJVLZIICTAWXTCP-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.79
Rot. Bonds3

About 3-(aminomethyl)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methylpyridin-2-one

3-(aminomethyl)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methylpyridin-2-one (PubChem CID 107073081) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methylpyridin-2-one
PubChem CID107073081
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-(aminomethyl)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methylpyridin-2-one
SMILESCc1ccc(CN)c(=O)n1CC1COc2ccccc21
InChIInChI=1S/C16H18N2O2/c1-11-6-7-12(8-17)16(19)18(11)9-13-10-20-15-5-3-2-4-14(13)15/h2-7,13H,8-10,17H2,1H3
InChIKeyJVLZIICTAWXTCP-UHFFFAOYSA-N
XLogP1.79
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methyl-2-oxopyridine-3-carboxylic acid
CID 79219227
[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5-methylpyrazol-4-yl]methanamine
CID 79230320
5-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpyridin-2-one
CID 79355230
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propylazetidin-3-amine
CID 79229361
6-chloro-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5-iodopyrimidin-4-one
CID 114583853
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylimidazol-2-one
CID 116625117
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
CID 110751798
2-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-4-yl]ethanamine
CID 79229389
2-[4-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,4-diazepan-1-yl]ethanamine
CID 79226330
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)azetidine-3-carboxylic acid
CID 79230205
ethyl 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrolidine-2-carboxylate
CID 79230459
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methylpyridin-2-one (CID 107073081) is 3-(aminomethyl)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methylpyridin-2-one is Cc1ccc(CN)c(=O)n1CC1COc2ccccc21.
What is the InChIKey of 3-(aminomethyl)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methylpyridin-2-one?
The InChIKey is JVLZIICTAWXTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-6-7-12(8-17)16(19)18(11)9-13-10-20-15-5-3-2-4-14(13)15/h2-7,13H,8-10,17H2,1H3.
What are the key properties of 3-(aminomethyl)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methylpyridin-2-one?
3-(aminomethyl)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methylpyridin-2-one has a molecular weight of 270.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methylpyridin-2-one is sourced from PubChem (CID 107073081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).