6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one

C15H21NO2 — CID 116571723

IUPAC6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one
SMILESCC(N)CCC(=O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C15H21NO2/c1-11(16)2-5-14(17)6-3-12-4-7-15-13(10-12)8-9-18-15/h4,7,10-11H,2-3,5-6,8-9,16H2,1H3
InChIKeyGZEHAQYCADFFHO-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.25
Rot. Bonds6

About 6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one

6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one (PubChem CID 116571723) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one.

Molecular Properties

Compound Name6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one
PubChem CID116571723
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one
SMILESCC(N)CCC(=O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C15H21NO2/c1-11(16)2-5-14(17)6-3-12-4-7-15-13(10-12)8-9-18-15/h4,7,10-11H,2-3,5-6,8-9,16H2,1H3
InChIKeyGZEHAQYCADFFHO-UHFFFAOYSA-N
XLogP2.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one
CID 116551761
4-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpentanamide
CID 115156754
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
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonyl]butan-2-amine
CID 81195482
1-(2,3-dihydro-1-benzofuran-5-yl)-5-(ethylamino)hexan-3-one
CID 116566776
5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoropentan-3-one
CID 65446247
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
CID 65446268
1-(2,3-dihydro-1-benzofuran-5-yl)-5-(oxolan-2-yl)pentan-3-one
CID 114974276
1-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)-4-methylpentan-3-one
CID 79047128
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfinyl]propan-2-amine
CID 81189992
4-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethoxycyclobutyl)butan-2-one
CID 103167866

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one?
The IUPAC name of 6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one (CID 116571723) is 6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one.
What is the SMILES notation for 6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one?
The canonical SMILES for 6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one is CC(N)CCC(=O)CCc1ccc2c(c1)CCO2.
What is the InChIKey of 6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one?
The InChIKey is GZEHAQYCADFFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(16)2-5-14(17)6-3-12-4-7-15-13(10-12)8-9-18-15/h4,7,10-11H,2-3,5-6,8-9,16H2,1H3.
What are the key properties of 6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one?
6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one has a molecular weight of 247.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one is sourced from PubChem (CID 116571723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).