3-amino-3-propyl-2-benzofuran-1-one

C11H13NO2 — CID 70621686

IUPAC3-amino-3-propyl-2-benzofuran-1-one
SMILESCCCC1(N)OC(=O)c2ccccc21
InChIInChI=1S/C11H13NO2/c1-2-7-11(12)9-6-4-3-5-8(9)10(13)14-11/h3-6H,2,7,12H2,1H3
InChIKeyQYMGFSKUPCCNGI-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.77
Rot. Bonds2

About 3-amino-3-propyl-2-benzofuran-1-one

3-amino-3-propyl-2-benzofuran-1-one (PubChem CID 70621686) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-amino-3-propyl-2-benzofuran-1-one.

Molecular Properties

Compound Name3-amino-3-propyl-2-benzofuran-1-one
PubChem CID70621686
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-amino-3-propyl-2-benzofuran-1-one
SMILESCCCC1(N)OC(=O)c2ccccc21
InChIInChI=1S/C11H13NO2/c1-2-7-11(12)9-6-4-3-5-8(9)10(13)14-11/h3-6H,2,7,12H2,1H3
InChIKeyQYMGFSKUPCCNGI-UHFFFAOYSA-N
XLogP1.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-decyl-3-methyl-2-benzofuran-1-one
CID 139663911
2,2-dipropyl-1,3-benzodioxin-4-one
CID 176766083
3-ethyl-3-(3-iodopropyl)-2-benzofuran-1-one
CID 14862608
3-hydroxy-3-(1-hydroxybutyl)-2-benzofuran-1-one
CID 146285906
3-pentyl-3-(1H-pyrrol-3-yl)-2-benzofuran-1-one
CID 70566259
ethane;3-ethyl-3-[2-(methylamino)ethyl]-2-benzofuran-1-one
CID 143235318
3-(2-aminoethyl)-3-phenyl-2-benzofuran-1-one
CID 24971517
9-methyl-9-propylfluorene
CID 13283188
3-methoxy-3-methyl-2-benzofuran-1-one
CID 15483639
2-ethyl-2-propyl-3,1-benzoxathiin-4-one
CID 176765986
9-ethyl-9-propylfluorene
CID 123584741
benzene;3,3-dimethyl-2-benzofuran-1-one;ethane;methoxymethane
CID 91422174

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-propyl-2-benzofuran-1-one?
The IUPAC name of 3-amino-3-propyl-2-benzofuran-1-one (CID 70621686) is 3-amino-3-propyl-2-benzofuran-1-one.
What is the SMILES notation for 3-amino-3-propyl-2-benzofuran-1-one?
The canonical SMILES for 3-amino-3-propyl-2-benzofuran-1-one is CCCC1(N)OC(=O)c2ccccc21.
What is the InChIKey of 3-amino-3-propyl-2-benzofuran-1-one?
The InChIKey is QYMGFSKUPCCNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-7-11(12)9-6-4-3-5-8(9)10(13)14-11/h3-6H,2,7,12H2,1H3.
What are the key properties of 3-amino-3-propyl-2-benzofuran-1-one?
3-amino-3-propyl-2-benzofuran-1-one has a molecular weight of 191.23 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-propyl-2-benzofuran-1-one is sourced from PubChem (CID 70621686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).