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

C16H23NO2 — CID 116553577

IUPAC4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-6-methylheptan-3-one
SMILESCC(C)CC(N)C(=O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H23NO2/c1-11(2)9-14(17)15(18)5-3-12-4-6-16-13(10-12)7-8-19-16/h4,6,10-11,14H,3,5,7-9,17H2,1-2H3
InChIKeySVGFZWNMKRPEFM-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.50
Rot. Bonds6

About 4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-6-methylheptan-3-one

4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-6-methylheptan-3-one (PubChem CID 116553577) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-6-methylheptan-3-one.

Molecular Properties

Compound Name4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-6-methylheptan-3-one
PubChem CID116553577
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-6-methylheptan-3-one
SMILESCC(C)CC(N)C(=O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H23NO2/c1-11(2)9-14(17)15(18)5-3-12-4-6-16-13(10-12)7-8-19-16/h4,6,10-11,14H,3,5,7-9,17H2,1-2H3
InChIKeySVGFZWNMKRPEFM-UHFFFAOYSA-N
XLogP2.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.50
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
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-one
CID 79617126
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
CID 65446268
6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one
CID 116571723
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentanamide
CID 110837781
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015
1-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)-4-methylpentan-3-one
CID 79047128
(2S)-2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid
CID 62717626
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-4-methylpentanoic acid
CID 65444506
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
5-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentan-1-amine
CID 65300933

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-6-methylheptan-3-one?
The IUPAC name of 4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-6-methylheptan-3-one (CID 116553577) is 4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-6-methylheptan-3-one.
What is the SMILES notation for 4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-6-methylheptan-3-one?
The canonical SMILES for 4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-6-methylheptan-3-one is CC(C)CC(N)C(=O)CCc1ccc2c(c1)CCO2.
What is the InChIKey of 4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-6-methylheptan-3-one?
The InChIKey is SVGFZWNMKRPEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(2)9-14(17)15(18)5-3-12-4-6-16-13(10-12)7-8-19-16/h4,6,10-11,14H,3,5,7-9,17H2,1-2H3.
What are the key properties of 4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-6-methylheptan-3-one?
4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-6-methylheptan-3-one has a molecular weight of 261.36 g/mol, XLogP of 2.50, 6 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)-6-methylheptan-3-one is sourced from PubChem (CID 116553577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).