4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one

C13H17NO2 — CID 116551761

IUPAC4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one
SMILESCC(N)C(=O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C13H17NO2/c1-9(14)12(15)4-2-10-3-5-13-11(8-10)6-7-16-13/h3,5,8-9H,2,4,6-7,14H2,1H3
InChIKeyOSIKXIUEQRWSFW-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.47
Rot. Bonds4

About 4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one

4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one (PubChem CID 116551761) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one.

Molecular Properties

Compound Name4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one
PubChem CID116551761
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one
SMILESCC(N)C(=O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C13H17NO2/c1-9(14)12(15)4-2-10-3-5-13-11(8-10)6-7-16-13/h3,5,8-9H,2,4,6-7,14H2,1H3
InChIKeyOSIKXIUEQRWSFW-UHFFFAOYSA-N
XLogP1.47
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-6-methylheptan-3-one
CID 116553577
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-one
CID 79617126
6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one
CID 116571723
1-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)-4-methylpentan-3-one
CID 79047128
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhex-4-en-3-one
CID 103455479
1-(2,3-dihydro-1-benzofuran-5-yl)-5-(ethylamino)hexan-3-one
CID 116566776
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
CID 65446268
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-methylcarbamoyl bromide
CID 115194145
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015
4-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpentanamide
CID 115156754
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-propan-2-ylamino]propanoic acid
CID 65446593
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfinyl]propan-2-amine
CID 81189992

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one?
The IUPAC name of 4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one (CID 116551761) is 4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one.
What is the SMILES notation for 4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one?
The canonical SMILES for 4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one is CC(N)C(=O)CCc1ccc2c(c1)CCO2.
What is the InChIKey of 4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one?
The InChIKey is OSIKXIUEQRWSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(14)12(15)4-2-10-3-5-13-11(8-10)6-7-16-13/h3,5,8-9H,2,4,6-7,14H2,1H3.
What are the key properties of 4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one?
4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one has a molecular weight of 219.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one is sourced from PubChem (CID 116551761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).