5-amino-1-(5-methyl-1-benzofuran-2-yl)hexan-1-one

C15H19NO2 — CID 114737355

IUPAC5-amino-1-(5-methyl-1-benzofuran-2-yl)hexan-1-one
SMILESCc1ccc2oc(C(=O)CCCC(C)N)cc2c1
InChIInChI=1S/C15H19NO2/c1-10-6-7-14-12(8-10)9-15(18-14)13(17)5-3-4-11(2)16/h6-9,11H,3-5,16H2,1-2H3
InChIKeyRBAWKHKBSUDYDH-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.44
Rot. Bonds5

About 5-amino-1-(5-methyl-1-benzofuran-2-yl)hexan-1-one

5-amino-1-(5-methyl-1-benzofuran-2-yl)hexan-1-one (PubChem CID 114737355) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-amino-1-(5-methyl-1-benzofuran-2-yl)hexan-1-one.

Molecular Properties

Compound Name5-amino-1-(5-methyl-1-benzofuran-2-yl)hexan-1-one
PubChem CID114737355
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name5-amino-1-(5-methyl-1-benzofuran-2-yl)hexan-1-one
SMILESCc1ccc2oc(C(=O)CCCC(C)N)cc2c1
InChIInChI=1S/C15H19NO2/c1-10-6-7-14-12(8-10)9-15(18-14)13(17)5-3-4-11(2)16/h6-9,11H,3-5,16H2,1-2H3
InChIKeyRBAWKHKBSUDYDH-UHFFFAOYSA-N
XLogP3.44
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyl-1-benzofuran-2-yl)hexan-1-one
CID 115808102
3-ethoxy-1-(5-methyl-1-benzofuran-2-yl)propan-1-one
CID 105131900
3-methyl-1-(5-methyl-1-benzofuran-2-yl)pentan-1-one
CID 115808089
3,4,4-trimethyl-1-(5-methyl-1-benzofuran-2-yl)pentan-1-one
CID 115808081
4-amino-2-methyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-one
CID 114737056
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
1-(5-methyl-1-benzofuran-2-yl)-2-(propylamino)ethanone
CID 114736423
N-(2-hydroxypropyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 62335366
5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide
CID 115409727
N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-benzofuran-2-carboxamide
CID 111662426
N-(3-chlorobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 113272749

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(5-methyl-1-benzofuran-2-yl)hexan-1-one?
The IUPAC name of 5-amino-1-(5-methyl-1-benzofuran-2-yl)hexan-1-one (CID 114737355) is 5-amino-1-(5-methyl-1-benzofuran-2-yl)hexan-1-one.
What is the SMILES notation for 5-amino-1-(5-methyl-1-benzofuran-2-yl)hexan-1-one?
The canonical SMILES for 5-amino-1-(5-methyl-1-benzofuran-2-yl)hexan-1-one is Cc1ccc2oc(C(=O)CCCC(C)N)cc2c1.
What is the InChIKey of 5-amino-1-(5-methyl-1-benzofuran-2-yl)hexan-1-one?
The InChIKey is RBAWKHKBSUDYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10-6-7-14-12(8-10)9-15(18-14)13(17)5-3-4-11(2)16/h6-9,11H,3-5,16H2,1-2H3.
What are the key properties of 5-amino-1-(5-methyl-1-benzofuran-2-yl)hexan-1-one?
5-amino-1-(5-methyl-1-benzofuran-2-yl)hexan-1-one has a molecular weight of 245.32 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(5-methyl-1-benzofuran-2-yl)hexan-1-one is sourced from PubChem (CID 114737355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).